X5LPW7_CAEEL Loading...

ethanolamine-phosphate cytidylyltransferase

AlphaFold DB , UniProt , Accession X5LPW7, Species CAEEL (Caenorhabditis elegans), Gene pcyt-2.1, Length 302 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M93.4Very high96.3Very high80 Ų8078.1 Ų78.139%0.39441%0.41SS..  0-72.30-70.9-54.2-79.900111.3A3 G4 F147 H148 I149 L152 Y198M1-A3 PolarHBondContact O-N 2.91Å; M1-G4 PolarHBondContact O-N 2.81Å; M1-F147 HydrophobicContact CE-CD1 4.19Å; M1-H148 VanDerWaalsContact SD-C 3.55Å; M1-I149 HydrophobicContact CG-CB 4.1Å; M1-I149 HydrophobicContact CG-CD1 4.1Å; M1-I149 WeakPolarHBondContact SD-CA 3.21Å; M1-I149 HydrophobicContact SD-CB 3.78Å; M1-I149 HydrophobicContact SD-CD1 3.87Å; M1-I149 HydrophobicContact SD-CG1 4.43Å; M1-I149 PolarHBondContact SD-N 2.94Å; M1-L152 HydrophobicContact SD-CB 4.38Å; M1-L152 HydrophobicContact SD-CD2 4.21Å; M1-Y198 HydrophobicContact CE-CE1 4.4Å; M1-Y198 WeakPolarHBondContact CE-OH 3.25Å
2V96.4Very high96.3Very high87 Ų8775.6 Ų75.653%0.52740%0.4SS..G310 helixtrans-54.4-46.7-176.2-1780000112.7G4 I5 V8 V11V2-G4 PolarHBondContact O-N 3.48Å; V2-G4 VanDerWaalsContact O-N 3.09Å; V2-I5 WeakPolarHBondContact O-CB 3.45Å; V2-I5 PolarHBondContact O-N 3Å; V2-V8 HydrophobicContact CG1-CG1 4.26Å; V2-V8 HydrophobicContact CG1-CG2 4.16Å; V2-V11 HydrophobicContact CB-CG2 4.1Å; V2-V11 HydrophobicContact CG1-CG2 3.88Å
3A96.5Very high96.2Very high56 Ų5681.9 Ų81.946%0.46343%0.426SS..G310 helixtrans-60.4-21.3178.600000114.7M1 V11 K199M1-A3 PolarHBondContact O-N 2.91Å; A3-V11 HydrophobicContact CB-CG2 3.69Å; A3-K199 WeakPolarHBondContact O-CE 3.21Å; A3-K199 PolarHBondContact O-NZ 2.96Å
4G95.9Very high95.9Very high5 Ų587.4 Ų87.45%0.05246%0.456CS..G310 helixtrans-82.4-13.3179.200000113.7M1 V2 Y198 K199M1-G4 PolarHBondContact O-N 2.81Å; V2-G4 PolarHBondContact O-N 3.48Å; V2-G4 VanDerWaalsContact O-N 3.09Å; G4-Y198 VanDerWaalsContact C-CD1 3.45Å; G4-Y198 CarbonylContact O-C 3.57Å; G4-Y198 WeakPolarHBondContact O-CA 3.41Å; G4-Y198 VanDerWaalsContact O-CD1 3.29Å; G4-Y198 WeakPolarHBondContact O-CD1 3.37Å; G4-K199 WeakPolarHBondContact O-CG 3.28Å; G4-K199 PolarHBondContact O-N 3.34Å
5I97.3Very high95.7Very high47 Ų4785.7 Ų85.724%0.24146%0.46CS..BIsolated β-bridgetrans-73.7132.8178.1-62.6172.3000108.9V2 W7 V8 A197 Y198 K199V2-I5 WeakPolarHBondContact O-CB 3.45Å; V2-I5 PolarHBondContact O-N 3Å; I5-W7 VanDerWaalsContact C-N 3.26Å; I5-W7 HydrophobicContact CG2-CE3 3.58Å; I5-W7 HydrophobicContact CG2-CZ3 4.16Å; I5-W7 PolarHBondContact O-N 2.88Å; I5-V8 HydrophobicContact CB-CG2 4.01Å; I5-V8 HydrophobicContact CG2-CG2 4.27Å; I5-V8 PolarHBondContact O-N 3.29Å; I5-A197 CarbonylContact C-O 3.43Å; I5-A197 WeakPolarHBondContact CA-O 3.28Å; I5-Y198 HydrophobicContact CG1-CD1 4.5Å; I5-Y198 HydrophobicContact CG1-CE1 3.99Å; I5-K199 VanDerWaalsContact O-CE 3.27Å; I5-K199 WeakPolarHBondContact O-CE 3.41Å
6K95.6Very high95.3Very high47 Ų4785.1 Ų85.120%0.20446%0.462CS..THydrogen-bonded Turntrans-65.1-22.6-16971.1-175.5-171.7169.30116.1F125 A197 K199K6-F125 PolarHBondContact NZ-O 3.05Å; K6-A197 WeakPolarHBondContact CG-O 3.29Å; K6-A197 PolarHBondContact N-O 3.07Å; K6-K199 HydrophobicContact CB-CG 4.03Å
7W96.4Very high94.8Very high138 Ų13893.8 Ų93.852%0.52349%0.488SS..THydrogen-bonded Turntrans-88.3-4.3176.5-54.3-74.7000113.8I5 F125 A197I5-W7 VanDerWaalsContact C-N 3.26Å; I5-W7 HydrophobicContact CG2-CE3 3.58Å; I5-W7 HydrophobicContact CG2-CZ3 4.16Å; I5-W7 PolarHBondContact O-N 2.88Å; W7-F125 AromaticContact CH2-CD1 3.64Å; W7-F125 HydrophobicContact CH2-CD1 3.64Å; W7-F125 HydrophobicContact CH2-CD2 4.29Å; W7-F125 AromaticContact CH2-CE1 3.68Å; W7-F125 HydrophobicContact CH2-CE1 3.68Å; W7-F125 HydrophobicContact CH2-CE2 4.33Å; W7-F125 AromaticContact CH2-CG 3.96Å; W7-F125 HydrophobicContact CH2-CG 3.96Å; W7-F125 HydrophobicContact CH2-CZ 4.04Å; W7-F125 HydrophobicContact CZ3-CD1 4.39Å; W7-F125 HydrophobicContact CZ3-CE1 4.09Å; W7-A197 HydrophobicContact CZ3-CB 4.05Å
8V97.4Very high94.3Very high32 Ų3290.6 Ų90.619%0.19448%0.478CS..  trans-96.8116.8179.8177.60000109.1V2 I5 E10 V11 K199V2-V8 HydrophobicContact CG1-CG1 4.26Å; V2-V8 HydrophobicContact CG1-CG2 4.16Å; I5-V8 HydrophobicContact CB-CG2 4.01Å; I5-V8 HydrophobicContact CG2-CG2 4.27Å; I5-V8 PolarHBondContact O-N 3.29Å; V8-E10 WeakPolarHBondContact CG1-O 3.32Å; V8-V11 HydrophobicContact CG1-CG2 3.83Å; V8-K199 VanDerWaalsContact O-CE 3.28Å; V8-K199 WeakPolarHBondContact O-CE 3.35Å; V8-K199 PolarHBondContact O-NZ 3.03Å
9D97.2Very high94.2Very high156 Ų15687.4 Ų87.483%0.83446%0.462SS*.  trans-81.1-50.8175.9-61.7-60.5000111.8
10E96.3Very high94.2Very high148 Ų14884.9 Ų84.969%0.69245%0.45SS*.  trans-133151.8-178.4-175.2176.6155.800111.4V8V8-E10 WeakPolarHBondContact CG1-O 3.32Å
11V96.8Very high94.2Very high63 Ų6381.4 Ų81.438%0.38243%0.433SS..  trans-117.8117.9171.1177.90000109.7V2 A3 V8V2-V11 HydrophobicContact CB-CG2 4.1Å; V2-V11 HydrophobicContact CG1-CG2 3.88Å; A3-V11 HydrophobicContact CB-CG2 3.69Å; V8-V11 HydrophobicContact CG1-CG2 3.83Å
12V96.2Very high94.3Very high48 Ų4885.1 Ų85.129%0.29145%0.449SS..  trans-84116170.9176.40000109.4Y27V12-Y27 HydrophobicContact CG1-CE1 4.05Å; V12-Y27 HydrophobicContact CG1-CE2 3.72Å; V12-Y27 WeakPolarHBondContact CG1-OH 3.21Å; V12-Y27 HydrophobicContact CG2-CD1 3.96Å; V12-Y27 HydrophobicContact CG2-CD2 4.36Å; V12-Y27 HydrophobicContact CG2-CE1 3.78Å; V12-Y27 HydrophobicContact CG2-CE2 4.18Å; V12-Y27 HydrophobicContact CG2-CG 4.27Å
13E94.7Very high94.3Very high158 Ų15882.3 Ų82.374%0.73843%0.432SS*.THydrogen-bonded Turntrans-78152.5174.4-61.4-170.416100111.9A15E13-A15 PolarHBondContact O-N 3.12Å
14N93.2Very high94.3Very high159 Ų15980.2 Ų80.285%0.8541%0.413SS*.THydrogen-bonded Turntrans55.334.6178.7-53.9-60.6000113.7
15A91.9Very high94.3Very high62 Ų6284.6 Ų84.651%0.51244%0.435SS..  trans-58.8140.417300000110.8E13E13-A15 PolarHBondContact O-N 3.12Å
16P90.2Very high94.3Very high76 Ų7689.5 Ų89.549%0.49446%0.455SS..  trans-56147.8175-24.734.5000112A18P16-A18 VanDerWaalsContact C-N 3.34Å; P16-A18 PolarHBondContact O-N 2.63Å
17Y85.5Confident94.4Very high232 Ų23291.5 Ų91.591%0.9146%0.462SS*.SBendtrans-61.6-41.1-178.4-176.7-98.1000112.9
18A86.9Confident94.4Very high36 Ų3692.1 Ų92.130%0.29848%0.476SS..SBendtrans-100.6136.217400000109.7P16 T20 T47P16-A18 VanDerWaalsContact C-N 3.34Å; P16-A18 PolarHBondContact O-N 2.63Å; A18-T20 PolarHBondContact O-N 3.16Å; A18-T47 HydrophobicContact CB-CG2 4.27Å
19T91.6Very high94.4Very high30 Ų3093.1 Ų93.118%0.18448%0.483CS..  trans-71.8127.5174.8-48.20000109.9L24 C32 H34 V51T19-L24 HydrophobicContact CG2-CD2 4.13Å; T19-L24 HydrophobicContact CG2-CG 4.32Å; T19-C32 HydrophobicContact CG2-CB 3.9Å; T19-H34 PolarHBondContact OG1-NE2 3.21Å; T19-V51 HydrophobicContact CG2-CG2 4.47Å; T19-V51 WeakPolarHBondContact O-CG2 3.45Å
20T93.8Very high94.4Very high37 Ų3792 Ų9223%0.22748%0.477CS..  trans-118.8159.4177.362.80000111A18 E22 T23 L24A18-T20 PolarHBondContact O-N 3.16Å; T20-E22 VanDerWaalsContact C-N 3.27Å; T20-E22 PolarHBondContact O-N 3.31Å; T20-T23 PolarHBondContact O-N 3.29Å; T20-T23 PolarHBondContact OG1-N 2.81Å; T20-T23 PolarHBondContact OG1-OG1 3.08Å; T20-L24 PolarHBondContact O-N 2.93Å
21V95.3Very high94.5Very high13 Ų1389.4 Ų89.48%0.07946%0.464CS..Hα-helixtrans-61.7-39.8175.7179.50000110.4T23 L24 D25 E50 V51 H54V21-T23 VanDerWaalsContact C-N 3.3Å; V21-T23 PolarHBondContact O-N 2.83Å; V21-L24 WeakPolarHBondContact O-CB 3.38Å; V21-L24 PolarHBondContact O-N 3.42Å; V21-L24 VanDerWaalsContact O-N 3.08Å; V21-D25 PolarHBondContact O-N 2.99Å; V21-E50 HydrophobicContact CG2-CG 3.93Å; V21-V51 HydrophobicContact CG2-CG2 4.24Å; V21-H54 HydrophobicContact CG2-CB 4.25Å
22E95.9Very high94.4Very high157 Ų15787 Ų8773%0.73445%0.45SS*.Hα-helixtrans-56.2-41.7174.2-176.6-174.5-179.300112.5T20 L24 D25 K26T20-E22 VanDerWaalsContact C-N 3.27Å; T20-E22 PolarHBondContact O-N 3.31Å; E22-L24 VanDerWaalsContact C-N 3.33Å; E22-L24 PolarHBondContact O-N 2.69Å; E22-D25 PolarHBondContact O-N 2.86Å; E22-K26 WeakPolarHBondContact O-CB 3.45Å; E22-K26 PolarHBondContact O-N 3.19Å
23T95.5Very high94.4Very high29 Ų2988.5 Ų88.518%0.17846%0.459CS..Hα-helixtrans-65.3-40.6178-56.80000110.8T20 V21 K26 Y27T20-T23 PolarHBondContact O-N 3.29Å; T20-T23 PolarHBondContact OG1-N 2.81Å; T20-T23 PolarHBondContact OG1-OG1 3.08Å; V21-T23 VanDerWaalsContact C-N 3.3Å; V21-T23 PolarHBondContact O-N 2.83Å; T23-K26 PolarHBondContact O-N 2.66Å; T23-Y27 HydrophobicContact CG2-CD2 4.18Å; T23-Y27 HydrophobicContact CG2-CE2 4.19Å; T23-Y27 VanDerWaalsContact O-CD2 3.27Å; T23-Y27 WeakPolarHBondContact O-CD2 3.16Å; T23-Y27 PolarHBondContact O-N 2.8Å
24L96.4Very high94.3Very high12 Ų1283.2 Ų83.26%0.06343%0.434CS..Hα-helixtrans-66.3-41.7177.8-60.9178.1000111.5T19 T20 V21 E22 Y27 D28 C29 C32 V51 R56T19-L24 HydrophobicContact CG2-CD2 4.13Å; T19-L24 HydrophobicContact CG2-CG 4.32Å; T20-L24 PolarHBondContact O-N 2.93Å; V21-L24 WeakPolarHBondContact O-CB 3.38Å; V21-L24 PolarHBondContact O-N 3.42Å; V21-L24 VanDerWaalsContact O-N 3.08Å; E22-L24 VanDerWaalsContact C-N 3.33Å; E22-L24 PolarHBondContact O-N 2.69Å; L24-Y27 CarbonylContact O-C 3.53Å; L24-Y27 PolarHBondContact O-N 3.34Å; L24-D28 PolarHBondContact O-N 3.07Å; L24-D28 VanDerWaalsContact O-N 3.08Å; L24-C29 HydrophobicContact CB-CB 4.34Å; L24-C29 HydrophobicContact CD2-CB 3.97Å; L24-C29 PolarHBondContact O-N 3.02Å; L24-C32 HydrophobicContact CD2-CB 4.09Å; L24-V51 HydrophobicContact CD1-CG1 3.84Å; L24-R56 HydrophobicContact CD1-CB 4.05Å
25D96.9Very high94Very high96 Ų9677 Ų7751%0.51341%0.407SS..Hα-helixtrans-66-39.1177.4-66.7-20.6000112.1V21 E22 Y27 D28 R56V21-D25 PolarHBondContact O-N 2.99Å; E22-D25 PolarHBondContact O-N 2.86Å; D25-Y27 PolarHBondContact O-N 2.9Å; D25-D28 PolarHBondContact O-N 3.43Å; D25-R56 IonicContact OD1-CZ 3.41Å; D25-R56 VanDerWaalsContact OD1-CZ 3.28Å; D25-R56 IonicContact OD1-NH1 3.3Å; D25-R56 PolarHBondContact OD1-NH1 2.68Å; D25-R56 IonicContact OD1-NH2 3.14Å; D25-R56 PolarHBondContact OD1-NH2 3.47Å; D25-R56 IonicContact OD2-NH1 2.84Å
26K97Very high93.4Very high150 Ų15076.4 Ų76.465%0.65240%0.395SS*.Hα-helixtrans-57.9-35.5177.8-178-177.5177.5-164.30112.8E22 T23E22-K26 WeakPolarHBondContact O-CB 3.45Å; E22-K26 PolarHBondContact O-N 3.19Å; T23-K26 PolarHBondContact O-N 2.66Å
27Y96.3Very high92.8Very high89 Ų8975.2 Ų75.235%0.34939%0.385SS..THydrogen-bonded Turntrans-109.517.8-178-60.7-70.1000112.9V12 T23 L24 D25 C29V12-Y27 HydrophobicContact CG1-CE1 4.05Å; V12-Y27 HydrophobicContact CG1-CE2 3.72Å; V12-Y27 WeakPolarHBondContact CG1-OH 3.21Å; V12-Y27 HydrophobicContact CG2-CD1 3.96Å; V12-Y27 HydrophobicContact CG2-CD2 4.36Å; V12-Y27 HydrophobicContact CG2-CE1 3.78Å; V12-Y27 HydrophobicContact CG2-CE2 4.18Å; V12-Y27 HydrophobicContact CG2-CG 4.27Å; T23-Y27 HydrophobicContact CG2-CD2 4.18Å; T23-Y27 HydrophobicContact CG2-CE2 4.19Å; T23-Y27 VanDerWaalsContact O-CD2 3.27Å; T23-Y27 WeakPolarHBondContact O-CD2 3.16Å; T23-Y27 PolarHBondContact O-N 2.8Å; L24-Y27 CarbonylContact O-C 3.53Å; L24-Y27 PolarHBondContact O-N 3.34Å; D25-Y27 PolarHBondContact O-N 2.9Å; Y27-C29 PolarHBondContact O-N 3.14Å; Y27-C29 VanDerWaalsContact O-N 3.15Å; Y27-C29 PolarHBondContact O-SG 3.37Å; Y27-C29 VanDerWaalsContact O-SG 3.36Å
28D97.2Very high92.1Very high152 Ų15267.7 Ų67.781%0.81336%0.36SS*.THydrogen-bonded Turntrans50.141.1177.5-159.832.2000113.5L24 D25L24-D28 PolarHBondContact O-N 3.07Å; L24-D28 VanDerWaalsContact O-N 3.08Å; D25-D28 PolarHBondContact O-N 3.43Å
29C97.2Very high91.4Very high52 Ų5267.5 Ų67.535%0.35136%0.355SS..  trans-96123.9-177.6-69.50000110.6L24 Y27 F31 R56L24-C29 HydrophobicContact CB-CB 4.34Å; L24-C29 HydrophobicContact CD2-CB 3.97Å; L24-C29 PolarHBondContact O-N 3.02Å; Y27-C29 PolarHBondContact O-N 3.14Å; Y27-C29 VanDerWaalsContact O-N 3.15Å; Y27-C29 PolarHBondContact O-SG 3.37Å; Y27-C29 VanDerWaalsContact O-SG 3.36Å; C29-F31 PolarHBondContact O-N 2.83Å; C29-R56 PolarHBondContact O-NH2 2.94Å
30D97.8Very high90.6Very high133 Ų13368.1 Ų68.171%0.71136%0.357SS*.SBendtrans-60-43.9179.9-66.5-55.1000113.1R56D30-R56 WeakPolarHBondContact O-CG 3.3Å; D30-R56 PolarHBondContact O-NE 3.44Å
31F97.4Very high89.4Confident93 Ų9368.7 Ų68.741%0.40836%0.36SS..  trans-155163-17857.1-93.2000111.6C29 V33 R56 R58C29-F31 PolarHBondContact O-N 2.83Å; F31-V33 HydrophobicContact CD2-CG2 3.94Å; F31-V33 HydrophobicContact CE2-CG2 3.67Å; F31-R56 CarbonylContact C-O 3.49Å; F31-R56 WeakPolarHBondContact CA-O 3.43Å; F31-R56 HydrophobicContact CB-CB 4.3Å; F31-R56 WeakPolarHBondContact CB-O 3.39Å; F31-R58 HydrophobicContact CB-CG 4.4Å; F31-R58 HydrophobicContact CD2-CB 4.03Å; F31-R58 HydrophobicContact CD2-CG 3.4Å; F31-R58 VanDerWaalsContact CD2-CG 3.4Å; F31-R58 HydrophobicContact CE2-CB 4.31Å; F31-R58 HydrophobicContact CE2-CG 3.76Å; F31-R58 HydrophobicContact CG-CG 3.91Å
32C96Very high88Confident13 Ų1373 Ų739%0.08840%0.397CS..EExtended strand (participates in β ladder)trans-99.4156.1167.568.40000111.9T19 L24 R56 R58T19-C32 HydrophobicContact CG2-CB 3.9Å; L24-C32 HydrophobicContact CD2-CB 4.09Å; C32-R56 PolarHBondContact N-O 3.03Å; C32-R58 PolarHBondContact O-N 2.93Å
33V95.9Very high86.7Confident80 Ų8073 Ų7349%0.48540%0.402SS..EExtended strand (participates in β ladder)trans-121.3128.3174.1-172.60000108.9F31 R58 C60F31-V33 HydrophobicContact CD2-CG2 3.94Å; F31-V33 HydrophobicContact CE2-CG2 3.67Å; V33-R58 WeakPolarHBondContact CA-O 3.47Å; V33-R58 HydrophobicContact CG2-CB 4.2Å; V33-C60 HydrophobicContact CG1-CB 3.93Å
34H92.4Very high85.5Confident47 Ų4773.9 Ų73.922%0.21842%0.417CS..EExtended strand (participates in β ladder)trans-131.5163.5174.8-75.1-82.9000110.6T19 Y48 Y57 R58 E59 C60T19-H34 PolarHBondContact OG1-NE2 3.21Å; H34-Y48 AromaticContact CE1-CE1 3.83Å; H34-Y48 AromaticContact CE1-CZ 3.59Å; H34-Y48 PolarHBondContact CE1-OH 2.83Å; H34-Y48 AromaticContact ND1-CZ 3.84Å; H34-Y48 PolarHBondContact ND1-OH 3.43Å; H34-Y48 AromaticContact NE2-CE1 3.57Å; H34-Y48 AromaticContact NE2-CZ 3.7Å; H34-Y57 HydrophobicContact CB-CE2 3.91Å; H34-Y57 WeakPolarHBondContact CB-OH 3.39Å; H34-Y57 AromaticContact CD2-CE2 3.57Å; H34-R58 PolarHBondContact N-O 3.15Å; H34-E59 CarbonylContact O-C 3.54Å; H34-E59 WeakPolarHBondContact O-CA 3.35Å; H34-C60 PolarHBondContact O-N 3.37Å
35G86.8Confident84.5Confident27 Ų2779.6 Ų79.628%0.27844%0.441SS..EExtended strand (participates in β ladder)trans-66.4165.1171.800000112.1D37 C60G35-D37 PolarHBondContact O-N 3.37Å; G35-D37 VanDerWaalsContact O-N 3.09Å; G35-C60 WeakPolarHBondContact CA-O 3.43Å
36D80.6Confident83.8Confident51 Ų5176.4 Ų76.427%0.27342%0.424SS..SBendtrans-7721.5175.256.8-15.5000113.8C60 R62D36-C60 PolarHBondContact N-O 2.8Å; D36-R62 WeakPolarHBondContact OD1-CB 3.45Å; D36-R62 PolarHBondContact OD1-N 3.42Å; D36-R62 VanDerWaalsContact OD1-N 3.11Å
37D76.5Confident83.2Confident50 Ų5071.7 Ų71.727%0.26741%0.408SS..SBendtrans-72.4148.1177.6-72.3-29.1000111.3G35 T39 R62G35-D37 PolarHBondContact O-N 3.37Å; G35-D37 VanDerWaalsContact O-N 3.09Å; D37-T39 WeakPolarHBondContact O-CG2 3.35Å; D37-T39 PolarHBondContact O-N 2.74Å; D37-R62 IonicContact OD1-CZ 3.86Å; D37-R62 IonicContact OD1-NH1 2.91Å; D37-R62 PolarHBondContact OD1-NH1 3.11Å; D37-R62 IonicContact OD2-NH1 3.46Å; D37-R62 PolarHBondContact OD2-NH1 2.96Å
38I71.9Confident82.8Confident75 Ų7568.8 Ų68.839%0.38540%0.397SS..  trans-67.1117.7176-60.3175000110.2L40 V295I38-L40 HydrophobicContact CG2-CD1 4.05Å; I38-L40 HydrophobicContact CG2-CG 3.91Å; I38-V295 HydrophobicContact CD1-CG1 4.05Å; I38-V295 HydrophobicContact CG2-CG1 4.02Å
39T71.7Confident82.4Confident31 Ų3164.7 Ų64.719%0.1937%0.373CS..  trans-119.151.1-171.545.60000112.4D37 T47 Y48D37-T39 WeakPolarHBondContact O-CG2 3.35Å; D37-T39 PolarHBondContact O-N 2.74Å; T39-T47 VanDerWaalsContact O-CB 3.26Å; T39-T47 WeakPolarHBondContact O-CB 3.4Å; T39-T47 PolarHBondContact O-N 3.2Å; T39-T47 PolarHBondContact O-OG1 3.31Å; T39-Y48 HydrophobicContact CG2-CD2 4.22Å; T39-Y48 HydrophobicContact CG2-CE2 3.64Å
40L73.6Confident82.1Confident44 Ų4466.9 Ų66.923%0.2338%0.378CS..BIsolated β-bridgetrans-88.3146.2177.7-58.2176.7000111.9I38 K45 K291 V295I38-L40 HydrophobicContact CG2-CD1 4.05Å; I38-L40 HydrophobicContact CG2-CG 3.91Å; L40-K45 CarbonylContact C-O 3.57Å; L40-K45 WeakPolarHBondContact CA-O 3.37Å; L40-K291 WeakPolarHBondContact O-CE 3.48Å; L40-K291 PolarHBondContact O-NZ 2.65Å; L40-V295 HydrophobicContact CD1-CG1 3.86Å; L40-V295 HydrophobicContact CD1-CG2 3.93Å
41T69.6Low81.9Confident49 Ų4960.5 Ų60.530%0.30134%0.344SS..  trans-73.8176.116866.50000110.8D43 G44 K45T41-D43 PolarHBondContact O-N 2.76Å; T41-G44 PolarHBondContact O-N 3.48Å; T41-G44 VanDerWaalsContact O-N 3.09Å; T41-K45 WeakPolarHBondContact CG2-O 3.03Å; T41-K45 PolarHBondContact N-O 3.12Å; T41-K45 PolarHBondContact OG1-N 3.02Å; T41-K45 PolarHBondContact OG1-O 3.3Å
42A64.8Low81.7Confident102 Ų10259 Ų5984%0.84334%0.337SS*.THydrogen-bonded Turntrans-60.9-28.5176.100000112.7G44A42-G44 VanDerWaalsContact C-N 3.25Å; A42-G44 PolarHBondContact O-N 2.77Å
43D69.7Low81.6Confident157 Ų15763.4 Ų63.484%0.8436%0.36SS*.THydrogen-bonded Turntrans-86.67.7178-50.8-54000112.9T41 K45T41-D43 PolarHBondContact O-N 2.76Å; D43-K45 VanDerWaalsContact C-N 3.29Å; D43-K45 PolarHBondContact O-N 3.12Å
44G71Confident81.5Confident48 Ų4864.7 Ų64.750%0.49536%0.36SS..SBendtrans75.211.2179.200000114.9T41 A42T41-G44 PolarHBondContact O-N 3.48Å; T41-G44 VanDerWaalsContact O-N 3.09Å; A42-G44 VanDerWaalsContact C-N 3.25Å; A42-G44 PolarHBondContact O-N 2.77Å
45K75Confident81.7Confident133 Ų13370.1 Ų70.158%0.57839%0.385SS*.  trans-86.7144176.2-168177.6179.7-176.30110.5L40 T41 D43 T47L40-K45 CarbonylContact C-O 3.57Å; L40-K45 WeakPolarHBondContact CA-O 3.37Å; T41-K45 WeakPolarHBondContact CG2-O 3.03Å; T41-K45 PolarHBondContact N-O 3.12Å; T41-K45 PolarHBondContact OG1-N 3.02Å; T41-K45 PolarHBondContact OG1-O 3.3Å; D43-K45 VanDerWaalsContact C-N 3.29Å; D43-K45 PolarHBondContact O-N 3.12Å; K45-T47 PolarHBondContact O-N 3.46Å
46D80.9Confident82.1Confident29 Ų2971 Ų7116%0.15538%0.38CS..BIsolated β-bridgetrans-62.2129.7174.7-165.4-46.1000111Y48 Q49 K52D46-Y48 PolarHBondContact O-N 3.4Å; D46-Y48 WeakPolarHBondContact OD1-CA 3.42Å; D46-Y48 PolarHBondContact OD1-N 3.38Å; D46-Q49 HydrophobicContact CB-CB 4.13Å; D46-Q49 WeakPolarHBondContact O-CB 3.49Å; D46-Q49 PolarHBondContact O-N 2.88Å; D46-K52 IonicContact OD1-NZ 3.23Å; D46-K52 WeakPolarHBondContact OD2-CE 3.5Å; D46-K52 IonicContact OD2-NZ 3.53Å; D46-K52 PolarHBondContact OD2-NZ 3.33Å
47T84.4Confident82.9Confident51 Ų5169.5 Ų69.531%0.31337%0.371SS..THydrogen-bonded Turntrans-64.7-27.7-179.6-53.60000111.3A18 T39 K45A18-T47 HydrophobicContact CB-CG2 4.27Å; T39-T47 VanDerWaalsContact O-CB 3.26Å; T39-T47 WeakPolarHBondContact O-CB 3.4Å; T39-T47 PolarHBondContact O-N 3.2Å; T39-T47 PolarHBondContact O-OG1 3.31Å; K45-T47 PolarHBondContact O-N 3.46Å
48Y87.9Confident83.8Confident28 Ų2872.8 Ų72.811%0.1138%0.38CS..THydrogen-bonded Turntrans-108.118.1-179.2-55.5-67.7000112.7H34 T39 D46 E50 V51 K52 Y57H34-Y48 AromaticContact CE1-CE1 3.83Å; H34-Y48 AromaticContact CE1-CZ 3.59Å; H34-Y48 PolarHBondContact CE1-OH 2.83Å; H34-Y48 AromaticContact ND1-CZ 3.84Å; H34-Y48 PolarHBondContact ND1-OH 3.43Å; H34-Y48 AromaticContact NE2-CE1 3.57Å; H34-Y48 AromaticContact NE2-CZ 3.7Å; T39-Y48 HydrophobicContact CG2-CD2 4.22Å; T39-Y48 HydrophobicContact CG2-CE2 3.64Å; D46-Y48 PolarHBondContact O-N 3.4Å; D46-Y48 WeakPolarHBondContact OD1-CA 3.42Å; D46-Y48 PolarHBondContact OD1-N 3.38Å; Y48-E50 VanDerWaalsContact C-N 3.27Å; Y48-E50 PolarHBondContact O-N 3.29Å; Y48-V51 PolarHBondContact O-N 3.02Å; Y48-K52 WeakPolarHBondContact O-CG 3.41Å; Y48-K52 PolarHBondContact O-N 3.47Å; Y48-Y57 HydrophobicContact CD1-CE2 4.43Å; Y48-Y57 AromaticContact CD2-CE2 3.65Å; Y48-Y57 HydrophobicContact CD2-CE2 3.65Å; Y48-Y57 HydrophobicContact CE2-CE2 4.32Å; Y48-Y57 HydrophobicContact CG-CD2 4.21Å; Y48-Y57 AromaticContact CG-CE2 3.7Å; Y48-Y57 HydrophobicContact CG-CE2 3.7Å
49Q89Confident84.8Confident66 Ų6675 Ų7531%0.30839%0.388SS..Hα-helixtrans-50.1-47.6-177.5-171.566.860.500112.1D46 V51 K52 D53D46-Q49 HydrophobicContact CB-CB 4.13Å; D46-Q49 WeakPolarHBondContact O-CB 3.49Å; D46-Q49 PolarHBondContact O-N 2.88Å; Q49-V51 VanDerWaalsContact C-N 3.32Å; Q49-V51 PolarHBondContact O-N 2.88Å; Q49-K52 PolarHBondContact O-N 3.43Å; Q49-D53 PolarHBondContact NE2-OD1 2.88Å; Q49-D53 WeakPolarHBondContact O-CB 3.44Å; Q49-D53 PolarHBondContact O-N 2.6Å
50E91.1Very high85.8Confident97 Ų9776.5 Ų76.545%0.45340%0.4SS..Hα-helixtrans-57.4-44.6-179.2-171.9-164.6149.200112.2V21 Y48 D53 H54V21-E50 HydrophobicContact CG2-CG 3.93Å; Y48-E50 VanDerWaalsContact C-N 3.27Å; Y48-E50 PolarHBondContact O-N 3.29Å; E50-D53 PolarHBondContact O-N 3.15Å; E50-H54 PolarHBondContact O-N 3.21Å; E50-H54 PolarHBondContact O-ND1 3.25Å
51V93.6Very high86.4Confident0 Ų083.3 Ų83.30%043%0.428CS..Hα-helixtrans-73.1-34.8-178.9-175.20000111.3T19 V21 L24 Y48 Q49 H54 Q55 R56T19-V51 HydrophobicContact CG2-CG2 4.47Å; T19-V51 WeakPolarHBondContact O-CG2 3.45Å; V21-V51 HydrophobicContact CG2-CG2 4.24Å; L24-V51 HydrophobicContact CD1-CG1 3.84Å; Y48-V51 PolarHBondContact O-N 3.02Å; Q49-V51 VanDerWaalsContact C-N 3.32Å; Q49-V51 PolarHBondContact O-N 2.88Å; V51-H54 PolarHBondContact O-N 2.83Å; V51-Q55 PolarHBondContact O-N 2.81Å; V51-R56 HydrophobicContact CG1-CB 3.95Å; V51-R56 WeakPolarHBondContact CG1-O 3.31Å; V51-R56 PolarHBondContact O-N 2.83Å
52K92.5Very high87Confident60 Ų6085.2 Ų85.226%0.26143%0.429SS..Hα-helixtrans-65.5-42.6173.7-72.7-180177.8-173.70111.7D46 Y48 Q49 H54 Q55 Y57D46-K52 IonicContact OD1-NZ 3.23Å; D46-K52 WeakPolarHBondContact OD2-CE 3.5Å; D46-K52 IonicContact OD2-NZ 3.53Å; D46-K52 PolarHBondContact OD2-NZ 3.33Å; Y48-K52 WeakPolarHBondContact O-CG 3.41Å; Y48-K52 PolarHBondContact O-N 3.47Å; Q49-K52 PolarHBondContact O-N 3.43Å; K52-H54 PolarHBondContact O-N 2.99Å; K52-Q55 WeakPolarHBondContact O-CA 3.45Å; K52-Q55 PolarHBondContact O-N 2.9Å; K52-Y57 HydrophobicContact CD-CD1 4.38Å; K52-Y57 VanDerWaalsContact CE-CE1 3.41Å; K52-Y57 HydrophobicContact CG-CD1 3.99Å; K52-Y57 HydrophobicContact CG-CD2 4.29Å; K52-Y57 HydrophobicContact CG-CG 3.75Å
53D94Very high87.8Confident106 Ų10685.2 Ų85.257%0.56742%0.419SS*.Hα-helixtrans-61.3-32.6177.6-66.5-16.3000111.6Q49 E50 Q55Q49-D53 PolarHBondContact NE2-OD1 2.88Å; Q49-D53 WeakPolarHBondContact O-CB 3.44Å; Q49-D53 PolarHBondContact O-N 2.6Å; E50-D53 PolarHBondContact O-N 3.15Å; D53-Q55 VanDerWaalsContact C-N 3.29Å; D53-Q55 PolarHBondContact O-N 3Å
54H94.8Very high88.1Confident108 Ų10882.3 Ų82.350%0.541%0.41SS..THydrogen-bonded Turntrans-84.44.6174.5-69.678.5000113.9V21 E50 V51 K52 R56V21-H54 HydrophobicContact CG2-CB 4.25Å; E50-H54 PolarHBondContact O-N 3.21Å; E50-H54 PolarHBondContact O-ND1 3.25Å; V51-H54 PolarHBondContact O-N 2.83Å; K52-H54 PolarHBondContact O-N 2.99Å; H54-R56 HydrophobicContact CB-CG 4.43Å; H54-R56 WeakPolarHBondContact O-CG 3.34Å; H54-R56 PolarHBondContact O-N 3.1Å
55Q95.6Very high88.2Confident160 Ų16080 Ų8075%0.74839%0.386SS*.THydrogen-bonded Turntrans60.222.9-178.5-54.8-176-22.300114.8V51 K52 D53 R58V51-Q55 PolarHBondContact O-N 2.81Å; K52-Q55 WeakPolarHBondContact O-CA 3.45Å; K52-Q55 PolarHBondContact O-N 2.9Å; D53-Q55 VanDerWaalsContact C-N 3.29Å; D53-Q55 PolarHBondContact O-N 3Å; Q55-R58 PolarHBondContact O-NH1 3.43Å
56R96.8Very high88.3Confident45 Ų4576.3 Ų76.317%0.1737%0.374CS..  trans-105.323.8-176.9-67.3176.372.7-176.110113.2L24 D25 C29 D30 F31 C32 V51 H54L24-R56 HydrophobicContact CD1-CB 4.05Å; D25-R56 IonicContact OD1-CZ 3.41Å; D25-R56 VanDerWaalsContact OD1-CZ 3.28Å; D25-R56 IonicContact OD1-NH1 3.3Å; D25-R56 PolarHBondContact OD1-NH1 2.68Å; D25-R56 IonicContact OD1-NH2 3.14Å; D25-R56 PolarHBondContact OD1-NH2 3.47Å; D25-R56 IonicContact OD2-NH1 2.84Å; C29-R56 PolarHBondContact O-NH2 2.94Å; D30-R56 WeakPolarHBondContact O-CG 3.3Å; D30-R56 PolarHBondContact O-NE 3.44Å; F31-R56 CarbonylContact C-O 3.49Å; F31-R56 WeakPolarHBondContact CA-O 3.43Å; F31-R56 HydrophobicContact CB-CB 4.3Å; F31-R56 WeakPolarHBondContact CB-O 3.39Å; C32-R56 PolarHBondContact N-O 3.03Å; V51-R56 HydrophobicContact CG1-CB 3.95Å; V51-R56 WeakPolarHBondContact CG1-O 3.31Å; V51-R56 PolarHBondContact O-N 2.83Å; H54-R56 HydrophobicContact CB-CG 4.43Å; H54-R56 WeakPolarHBondContact O-CG 3.34Å; H54-R56 PolarHBondContact O-N 3.1Å
57Y95.9Very high88.3Confident20 Ų2075.8 Ų75.88%0.07837%0.373CS..EExtended strand (participates in β ladder)trans-115.5136.9176.9-173.3-90.1000110.3H34 Y48 K52 E59H34-Y57 HydrophobicContact CB-CE2 3.91Å; H34-Y57 WeakPolarHBondContact CB-OH 3.39Å; H34-Y57 AromaticContact CD2-CE2 3.57Å; Y48-Y57 HydrophobicContact CD1-CE2 4.43Å; Y48-Y57 AromaticContact CD2-CE2 3.65Å; Y48-Y57 HydrophobicContact CD2-CE2 3.65Å; Y48-Y57 HydrophobicContact CE2-CE2 4.32Å; Y48-Y57 HydrophobicContact CG-CD2 4.21Å; Y48-Y57 AromaticContact CG-CE2 3.7Å; Y48-Y57 HydrophobicContact CG-CE2 3.7Å; K52-Y57 HydrophobicContact CD-CD1 4.38Å; K52-Y57 VanDerWaalsContact CE-CE1 3.41Å; K52-Y57 HydrophobicContact CG-CD1 3.99Å; K52-Y57 HydrophobicContact CG-CD2 4.29Å; K52-Y57 HydrophobicContact CG-CG 3.75Å; Y57-E59 HydrophobicContact CD1-CG 4.14Å; Y57-E59 HydrophobicContact CE1-CG 3.4Å; Y57-E59 VanDerWaalsContact CE1-CG 3.4Å; Y57-E59 WeakPolarHBondContact CE1-OE1 3.39Å
58R95Very high88.1Confident119 Ų11978 Ų7845%0.44939%0.387SS..EExtended strand (participates in β ladder)trans-133.2150.1174.5-62.2-64.8-179.4-84.9-4.6109.8F31 C32 V33 H34 Q55F31-R58 HydrophobicContact CB-CG 4.4Å; F31-R58 HydrophobicContact CD2-CB 4.03Å; F31-R58 HydrophobicContact CD2-CG 3.4Å; F31-R58 VanDerWaalsContact CD2-CG 3.4Å; F31-R58 HydrophobicContact CE2-CB 4.31Å; F31-R58 HydrophobicContact CE2-CG 3.76Å; F31-R58 HydrophobicContact CG-CG 3.91Å; C32-R58 PolarHBondContact O-N 2.93Å; V33-R58 WeakPolarHBondContact CA-O 3.47Å; V33-R58 HydrophobicContact CG2-CB 4.2Å; H34-R58 PolarHBondContact N-O 3.15Å; Q55-R58 PolarHBondContact O-NH1 3.43Å
59E93.6Very high87.5Confident121 Ų12179.1 Ų79.157%0.56540%0.396SS*.EExtended strand (participates in β ladder)trans-110.8137.1-179.4-67.4179.4178.300110.7H34 Y57H34-E59 CarbonylContact O-C 3.54Å; H34-E59 WeakPolarHBondContact O-CA 3.35Å; Y57-E59 HydrophobicContact CD1-CG 4.14Å; Y57-E59 HydrophobicContact CE1-CG 3.4Å; Y57-E59 VanDerWaalsContact CE1-CG 3.4Å; Y57-E59 WeakPolarHBondContact CE1-OE1 3.39Å
60C92.2Very high86.9Confident64 Ų6476.4 Ų76.443%0.43238%0.384SS..EExtended strand (participates in β ladder)trans-110.2147.5165.366.10000109.9V33 H34 G35 D36V33-C60 HydrophobicContact CG1-CB 3.93Å; H34-C60 PolarHBondContact O-N 3.37Å; G35-C60 WeakPolarHBondContact CA-O 3.43Å; D36-C60 PolarHBondContact N-O 2.8Å
61K87.2Confident86.4Confident187 Ų18773.3 Ų73.381%0.81337%0.37SS*.PPolyproline II helixtrans-70.2139.2178.5-65.9-177.6-179.9178.60110T63K61-T63 PolarHBondContact O-N 3.11Å
62R82.1Confident85.7Confident89 Ų8973.7 Ų73.734%0.33637%0.373SS..PPolyproline II helixtrans-54.7131.6169.9-170.5175.2-174.887.87111.8D36 D37 C64D36-R62 WeakPolarHBondContact OD1-CB 3.45Å; D36-R62 PolarHBondContact OD1-N 3.42Å; D36-R62 VanDerWaalsContact OD1-N 3.11Å; D37-R62 IonicContact OD1-CZ 3.86Å; D37-R62 IonicContact OD1-NH1 2.91Å; D37-R62 PolarHBondContact OD1-NH1 3.11Å; D37-R62 IonicContact OD2-NH1 3.46Å; D37-R62 PolarHBondContact OD2-NH1 2.96Å; R62-C64 PolarHBondContact O-N 2.94Å
63T82.4Confident84.9Confident102 Ų10271.7 Ų71.763%0.62637%0.369SS*.PPolyproline II helixtrans-65.2118.3173.8-52.10000110.3K61 V66K61-T63 PolarHBondContact O-N 3.11Å; T63-V66 HydrophobicContact CG2-CG1 4.34Å
64C75.9Confident84.1Confident95 Ų9567.4 Ų67.464%0.64235%0.345SS*.THydrogen-bonded Turntrans-67.3141.4174.8-69.20000110.8R62R62-C64 PolarHBondContact O-N 2.94Å
65G72.8Confident83.4Confident1 Ų162.6 Ų62.61%0.0132%0.323CS..THydrogen-bonded Turntrans100.5-7.6165.100000116.6S113 R114 F115G65-S113 CarbonylContact C-O 3.51Å; G65-S113 VanDerWaalsContact C-O 3.23Å; G65-S113 WeakPolarHBondContact CA-O 3.43Å; G65-S113 PolarHBondContact N-OG 3.36Å; G65-S113 VanDerWaalsContact O-O 3.07Å; G65-R114 VanDerWaalsContact CA-C 3.45Å; G65-F115 VanDerWaalsContact CA-N 3.32Å
66V77.6Confident82.3Confident54 Ų5456.8 Ų56.833%0.32730%0.297SS..  trans-147.4139.2-179.866.40000110.8T63 L71T63-V66 HydrophobicContact CG2-CG1 4.34Å; V66-L71 HydrophobicContact CG2-CD1 4Å; V66-L71 HydrophobicContact CG2-CD2 4.36Å; V66-L71 HydrophobicContact CG2-CG 4.11Å
67S80.3Confident80.7Confident18 Ų1856.9 Ų56.913%0.12630%0.3CS..  trans-151.4158.9167.171.90000109.7T69 D70 L71S67-T69 PolarHBondContact O-N 3.36Å; S67-D70 PolarHBondContact O-N 3.21Å; S67-D70 WeakPolarHBondContact OG-CB 3.43Å; S67-D70 PolarHBondContact OG-N 3.33Å; S67-L71 PolarHBondContact O-N 3.12Å
68T80Confident79Confident98 Ų9861.3 Ų61.360%0.60133%0.325SS*.Hα-helixtrans-58-37.3174.8-47.20000111.5L71 V72T68-L71 PolarHBondContact O-N 3.26Å; T68-V72 HydrophobicContact CG2-CG2 4.29Å; T68-V72 WeakPolarHBondContact O-CB 3.35Å; T68-V72 WeakPolarHBondContact O-CG2 3.28Å; T68-V72 PolarHBondContact O-N 3.49Å
69T74.1Confident77.1Confident51 Ų5156.9 Ų56.931%0.31331%0.311SS..Hα-helixtrans-64.6-42.4176.6-55.80000112.9S67 G73 Y281 N285S67-T69 PolarHBondContact O-N 3.36Å; T69-G73 PolarHBondContact O-N 3.39Å; T69-Y281 WeakPolarHBondContact CA-OH 3.32Å; T69-Y281 WeakPolarHBondContact CB-OH 3.1Å; T69-Y281 PolarHBondContact N-OH 2.97Å; T69-Y281 PolarHBondContact OG1-OH 3.39Å; T69-N285 PolarHBondContact OG1-ND2 3.35Å
70D76.8Confident75.2Confident10 Ų1055.5 Ų55.55%0.05330%0.303CS..Hα-helixtrans-62.9-51.3174.9173.136.1000111S67 V72 G73 R74 V112S67-D70 PolarHBondContact O-N 3.21Å; S67-D70 WeakPolarHBondContact OG-CB 3.43Å; S67-D70 PolarHBondContact OG-N 3.33Å; D70-V72 PolarHBondContact O-N 3.23Å; D70-G73 CarbonylContact O-C 3.5Å; D70-G73 WeakPolarHBondContact O-CA 3.23Å; D70-G73 PolarHBondContact O-N 2.96Å; D70-R74 WeakPolarHBondContact O-CG 3.35Å; D70-R74 PolarHBondContact O-N 2.96Å; D70-R74 IonicContact OD1-NE 2.96Å; D70-R74 PolarHBondContact OD1-NE 3.37Å; D70-R74 IonicContact OD2-CZ 2.66Å; D70-R74 VanDerWaalsContact OD2-CZ 3.31Å; D70-R74 IonicContact OD2-NE 2.67Å; D70-R74 PolarHBondContact OD2-NE 2.88Å; D70-R74 IonicContact OD2-NH2 2.75Å; D70-R74 PolarHBondContact OD2-NH2 3.15Å; D70-V112 WeakPolarHBondContact OD1-CG1 3.39Å
71L81.6Confident73.2Confident31 Ų3155.2 Ų55.216%0.16230%0.297CS..Hα-helixtrans-59.6-43.3179.7-67.3179.3000112.5V66 S67 T68 G73 R74 M75 L146 M186V66-L71 HydrophobicContact CG2-CD1 4Å; V66-L71 HydrophobicContact CG2-CD2 4.36Å; V66-L71 HydrophobicContact CG2-CG 4.11Å; S67-L71 PolarHBondContact O-N 3.12Å; T68-L71 PolarHBondContact O-N 3.26Å; L71-G73 VanDerWaalsContact C-N 3.32Å; L71-G73 PolarHBondContact O-N 2.7Å; L71-R74 PolarHBondContact O-N 3.18Å; L71-M75 HydrophobicContact CB-CE 4.09Å; L71-M75 VanDerWaalsContact O-CG 3.3Å; L71-M75 WeakPolarHBondContact O-CG 3.46Å; L71-M75 PolarHBondContact O-N 3.36Å; L71-L146 HydrophobicContact CD1-CD2 4.4Å; L71-L146 HydrophobicContact CD2-CD2 4.43Å; L71-M186 HydrophobicContact CD2-CG 3.93Å
72V78.9Confident71.8Confident8 Ų848.2 Ų48.25%0.04827%0.267CS..Hα-helixtrans-61.2-42.9173.7171.50000110.5T68 D70 R74 M75 L76 I274 Y281T68-V72 HydrophobicContact CG2-CG2 4.29Å; T68-V72 WeakPolarHBondContact O-CB 3.35Å; T68-V72 WeakPolarHBondContact O-CG2 3.28Å; T68-V72 PolarHBondContact O-N 3.49Å; D70-V72 PolarHBondContact O-N 3.23Å; V72-R74 PolarHBondContact O-N 3.08Å; V72-M75 PolarHBondContact O-N 3.25Å; V72-L76 HydrophobicContact CG1-CD1 3.74Å; V72-L76 HydrophobicContact CG1-CG 4.11Å; V72-L76 VanDerWaalsContact O-CG 3.31Å; V72-L76 WeakPolarHBondContact O-CG 3.46Å; V72-L76 PolarHBondContact O-N 3.42Å; V72-I274 HydrophobicContact CB-CG2 4.47Å; V72-I274 HydrophobicContact CG1-CG2 4.01Å; V72-I274 HydrophobicContact CG2-CG2 3.93Å; V72-Y281 HydrophobicContact CB-CE1 4.16Å; V72-Y281 HydrophobicContact CG1-CD1 3.96Å; V72-Y281 HydrophobicContact CG1-CE1 3.79Å; V72-Y281 HydrophobicContact CG2-CE1 4.42Å; V72-Y281 HydrophobicContact CG2-CE2 4.11Å
73G74.4Confident70.4Confident18 Ų1846 Ų4619%0.18626%0.261CS..Hα-helixtrans-55.8-47173.600000112.5T69 D70 L71 M75 L76 L77T69-G73 PolarHBondContact O-N 3.39Å; D70-G73 CarbonylContact O-C 3.5Å; D70-G73 WeakPolarHBondContact O-CA 3.23Å; D70-G73 PolarHBondContact O-N 2.96Å; L71-G73 VanDerWaalsContact C-N 3.32Å; L71-G73 PolarHBondContact O-N 2.7Å; G73-M75 VanDerWaalsContact C-N 3.3Å; G73-M75 PolarHBondContact O-N 2.75Å; G73-L76 PolarHBondContact O-N 3.22Å; G73-L77 WeakPolarHBondContact O-CB 3.47Å; G73-L77 WeakPolarHBondContact O-CG 3.4Å; G73-L77 PolarHBondContact O-N 2.66Å
74R78.7Confident68.8Low17 Ų1745 Ų456%0.06426%0.255CS..Hα-helixtrans-61.1-37.1177-62.8-178.6-161.9-174.67.1112.6D70 L71 V72 N182 I185 E190D70-R74 WeakPolarHBondContact O-CG 3.35Å; D70-R74 PolarHBondContact O-N 2.96Å; D70-R74 IonicContact OD1-NE 2.96Å; D70-R74 PolarHBondContact OD1-NE 3.37Å; D70-R74 IonicContact OD2-CZ 2.66Å; D70-R74 VanDerWaalsContact OD2-CZ 3.31Å; D70-R74 IonicContact OD2-NE 2.67Å; D70-R74 PolarHBondContact OD2-NE 2.88Å; D70-R74 IonicContact OD2-NH2 2.75Å; D70-R74 PolarHBondContact OD2-NH2 3.15Å; L71-R74 PolarHBondContact O-N 3.18Å; V72-R74 PolarHBondContact O-N 3.08Å; R74-N182 PolarHBondContact O-ND2 3.06Å; R74-N182 VanDerWaalsContact O-ND2 3.12Å; R74-I185 HydrophobicContact CB-CG2 3.86Å; R74-I185 WeakPolarHBondContact CD-O 3.36Å; R74-I185 PolarHBondContact NH1-O 3Å; R74-E190 IonicContact CZ-OE1 3.27Å; R74-E190 IonicContact CZ-OE2 3.23Å; R74-E190 VanDerWaalsContact NH1-CD 3.35Å; R74-E190 IonicContact NH1-OE1 2.71Å; R74-E190 PolarHBondContact NH1-OE1 3.45Å; R74-E190 IonicContact NH1-OE2 3.19Å; R74-E190 PolarHBondContact NH1-OE2 3.46Å; R74-E190 IonicContact NH2-OE1 3.31Å; R74-E190 PolarHBondContact NH2-OE1 3.42Å; R74-E190 IonicContact NH2-OE2 3.88Å
75M80.4Confident67.4Low7 Ų749 Ų493%0.03426%0.264CS..Hα-helixtrans-69.4-44.4175.8-64.2177.2-144.700111.9L71 V72 G73 L78 L146 I185 I271 I274L71-M75 HydrophobicContact CB-CE 4.09Å; L71-M75 VanDerWaalsContact O-CG 3.3Å; L71-M75 WeakPolarHBondContact O-CG 3.46Å; L71-M75 PolarHBondContact O-N 3.36Å; V72-M75 PolarHBondContact O-N 3.25Å; G73-M75 VanDerWaalsContact C-N 3.3Å; G73-M75 PolarHBondContact O-N 2.75Å; M75-L78 WeakPolarHBondContact O-CD2 3.35Å; M75-L146 HydrophobicContact CE-CD1 3.36Å; M75-L146 HydrophobicContact CE-CD2 3.63Å; M75-L146 HydrophobicContact CE-CG 4.16Å; M75-L146 HydrophobicContact SD-CD1 3.99Å; M75-I185 HydrophobicContact CE-CG2 4.46Å; M75-I185 HydrophobicContact CG-CD1 4.34Å; M75-I185 HydrophobicContact CG-CG1 4.33Å; M75-I185 HydrophobicContact CG-CG2 4.03Å; M75-I271 HydrophobicContact CB-CG1 4.46Å; M75-I271 HydrophobicContact CG-CG1 3.95Å; M75-I271 HydrophobicContact SD-CG1 3.88Å; M75-I274 HydrophobicContact CE-CD1 3.79Å; M75-I274 HydrophobicContact SD-CB 4.43Å; M75-I274 HydrophobicContact SD-CD1 3.47Å; M75-I274 WeakPolarHBondContact SD-CD1 3.27Å; M75-I274 HydrophobicContact SD-CG2 4.33Å
76L72.1Confident65.9Low38 Ų3855.3 Ų55.320%0.19930%0.297CS..Hα-helixtrans-75.9-35.5-176.3-67.3-179.7000113.7V72 G73 L78 I275 R278V72-L76 HydrophobicContact CG1-CD1 3.74Å; V72-L76 HydrophobicContact CG1-CG 4.11Å; V72-L76 VanDerWaalsContact O-CG 3.31Å; V72-L76 WeakPolarHBondContact O-CG 3.46Å; V72-L76 PolarHBondContact O-N 3.42Å; G73-L76 PolarHBondContact O-N 3.22Å; L76-L78 VanDerWaalsContact C-N 3.29Å; L76-L78 PolarHBondContact O-N 2.9Å; L76-I275 HydrophobicContact CD2-CG1 3.85Å; L76-R278 HydrophobicContact CD1-CG 4.03Å; L76-R278 HydrophobicContact CD2-CG 4.28Å
77L62.2Low64.1Low46 Ų4660.8 Ų60.824%0.24132%0.32CS..Hα-helixtrans-74.2-20.9-177.3-81.5168.7000113G73 T79 L99G73-L77 WeakPolarHBondContact O-CB 3.47Å; G73-L77 WeakPolarHBondContact O-CG 3.4Å; G73-L77 PolarHBondContact O-N 2.66Å; L77-T79 HydrophobicContact CB-CG2 3.93Å; L77-T79 PolarHBondContact O-N 2.74Å; L77-L99 HydrophobicContact CD1-CD1 3.82Å; L77-L99 HydrophobicContact CD2-CD1 3.27Å; L77-L99 HydrophobicContact CD2-CG 4.36Å; L77-L99 HydrophobicContact CG-CD1 3.38Å
78L61.6Low62.5Low114 Ų11465.2 Ų65.260%0.59734%0.338SS*.  trans49.328.7-173.4-59.4175.5000113.1M75 L76M75-L78 WeakPolarHBondContact O-CD2 3.35Å; L76-L78 VanDerWaalsContact C-N 3.29Å; L76-L78 PolarHBondContact O-N 2.9Å
79T54.4Low60.8Low25 Ų2563.6 Ų63.615%0.15333%0.325CS..  trans-90.4150.6179.955.50000111.5L77 H82 H92L77-T79 HydrophobicContact CB-CG2 3.93Å; L77-T79 PolarHBondContact O-N 2.74Å; T79-H82 PolarHBondContact O-CE1 3.25Å; T79-H82 PolarHBondContact O-ND1 3.12Å; T79-H92 PolarHBondContact OG1-NE2 2.86Å
80K53.3Low59.5Low92 Ų9268.8 Ų68.840%0.435%0.346SS..  trans-100.97.2175.6-52.2-169.7-169-157.20113.9H82 H83 N176 S181K80-H82 PolarHBondContact O-N 2.85Å; K80-H83 VanDerWaalsContact O-CB 3.27Å; K80-H83 WeakPolarHBondContact O-CB 3.22Å; K80-H83 PolarHBondContact O-N 3.37Å; K80-N176 PolarHBondContact NZ-OD1 3.17Å; K80-S181 WeakPolarHBondContact CE-O 3.29Å; K80-S181 PolarHBondContact NZ-O 3.09Å; K80-S181 VanDerWaalsContact NZ-O 3.17Å
81N51.2Low57.9Low58 Ų5873.7 Ų73.731%0.3137%0.368SS..G310 helixtrans-71.5-14.7-168.5-64.19000113.2H83 T84 H92N81-H83 PolarHBondContact O-N 3.12Å; N81-T84 PolarHBondContact O-OG1 3.03Å; N81-H92 PolarHBondContact ND2-CD2 2.87Å
82H56.9Low56.1Low40 Ų4073.4 Ų73.419%0.18537%0.366CS..G310 helixtrans-72.6-11.116958.8-72000113.1T79 K80 P184 I185T79-H82 PolarHBondContact O-CE1 3.25Å; T79-H82 PolarHBondContact O-ND1 3.12Å; K80-H82 PolarHBondContact O-N 2.85Å; H82-P184 PolarHBondContact NE2-O 2.88Å; H82-I185 PolarHBondContact CD2-O 2.78Å; H82-I185 VanDerWaalsContact CD2-O 3.27Å; H82-I185 PolarHBondContact NE2-O 2.76Å
83H51.9Low54.6Low44 Ų4475.7 Ų75.720%0.20438%0.38CS..G310 helixtrans-89.2-15.7175.3-56.7154.8000113.9K80 N81 H183 P184K80-H83 VanDerWaalsContact O-CB 3.27Å; K80-H83 WeakPolarHBondContact O-CB 3.22Å; K80-H83 PolarHBondContact O-N 3.37Å; N81-H83 PolarHBondContact O-N 3.12Å; H83-H183 PolarHBondContact CE1-O 2.88Å; H83-P184 PolarHBondContact CE1-O 3.23Å; H83-P184 WeakPolarHBondContact NE2-CD 3.37Å; H83-P184 PolarHBondContact NE2-O 3.5Å
84T48.8Very low53.2Low81 Ų8180 Ų8050%0.49740%0.395SS..  trans-107.5129.7-172.451.80000111.5N81N81-T84 PolarHBondContact O-OG1 3.03Å
85Q47.8Very low51.7Low178 Ų17886.6 Ų86.683%0.83242%0.42SS*.  trans-78.4-11.9177.4-84-179.7-19.500114.6
86D41.5Very low49.9Very low133 Ų13387.1 Ų87.171%0.71143%0.425SS*.SBendtrans-128.7146.6-170.4-91-40.8000118.7H88D86-H88 PolarHBondContact O-N 2.83Å
87E40.2Very low48.5Very low170 Ų17090.7 Ų90.779%0.79444%0.436SS*.SBendtrans66.5-23.3161.6-64.9-169.6178.900124.1
88H45.2Very low47.6Very low110 Ų11092 Ų9251%0.50945%0.449SS..  trans-113.533.4-178.8-68.2-67.2000115.3D86 Q91 H92D86-H88 PolarHBondContact O-N 2.83Å; H88-Q91 PolarHBondContact ND1-OE1 2.98Å; H88-H92 PolarHBondContact O-N 3.18Å
89I45.8Very low46.9Very low65 Ų6590.1 Ų90.133%0.33344%0.439SS..Hα-helixtrans-64.9-46.4-177.4-49.9179.5000111.5Q91 H92 V93 R114I89-Q91 VanDerWaalsContact C-N 3.32Å; I89-Q91 PolarHBondContact O-N 2.83Å; I89-H92 PolarHBondContact O-N 3.38Å; I89-H92 VanDerWaalsContact O-N 3.1Å; I89-V93 HydrophobicContact CG2-CG2 4.27Å; I89-V93 WeakPolarHBondContact O-CG2 3.28Å; I89-V93 PolarHBondContact O-N 2.93Å; I89-R114 VanDerWaalsContact CG1-NH2 3.25Å
90E44.9Very low46.2Very low159 Ų15990.5 Ų90.574%0.74344%0.443SS*.Hα-helixtrans-60.4-43.3-176-68.1-176.5164.900111H92 V93 E94E90-H92 VanDerWaalsContact C-N 3.26Å; E90-H92 PolarHBondContact O-N 3.25Å; E90-V93 PolarHBondContact O-N 3.18Å; E90-E94 WeakPolarHBondContact O-CB 3.42Å; E90-E94 PolarHBondContact O-N 3.36Å
91Q43.6Very low45.7Very low113 Ų11389.6 Ų89.653%0.52845%0.445SS..Hα-helixtrans-64.4-28.2178.1-67179.4-5.200113.5H88 I89 R95H88-Q91 PolarHBondContact ND1-OE1 2.98Å; I89-Q91 VanDerWaalsContact C-N 3.32Å; I89-Q91 PolarHBondContact O-N 2.83Å; Q91-R95 WeakPolarHBondContact O-CB 3.38Å; Q91-R95 WeakPolarHBondContact O-CG 3.37Å; Q91-R95 PolarHBondContact O-N 2.93Å
92H45.2Very low45Very low26 Ų2690.8 Ų90.812%0.1245%0.452CS..Hα-helixtrans-83.2-38.6178-153.9-98.8000111.7T79 N81 H88 I89 E90 E94 R95 A96T79-H92 PolarHBondContact OG1-NE2 2.86Å; N81-H92 PolarHBondContact ND2-CD2 2.87Å; H88-H92 PolarHBondContact O-N 3.18Å; I89-H92 PolarHBondContact O-N 3.38Å; I89-H92 VanDerWaalsContact O-N 3.1Å; E90-H92 VanDerWaalsContact C-N 3.26Å; E90-H92 PolarHBondContact O-N 3.25Å; H92-E94 VanDerWaalsContact C-N 3.33Å; H92-R95 PolarHBondContact O-N 2.73Å; H92-A96 VanDerWaalsContact O-CB 3.26Å; H92-A96 WeakPolarHBondContact O-CB 3.2Å; H92-A96 PolarHBondContact O-N 2.67Å
93V46.7Very low43.8Very low56 Ų5695.4 Ų95.434%0.33948%0.478SS..Hα-helixtrans-60.8-43.9168.4175.40000109.9I89 E90 R95 R97I89-V93 HydrophobicContact CG2-CG2 4.27Å; I89-V93 WeakPolarHBondContact O-CG2 3.28Å; I89-V93 PolarHBondContact O-N 2.93Å; E90-V93 PolarHBondContact O-N 3.18Å; V93-R95 PolarHBondContact O-N 3.15Å; V93-R97 HydrophobicContact CG1-CG 4.4Å; V93-R97 WeakPolarHBondContact O-CB 3.4Å; V93-R97 WeakPolarHBondContact O-CD 3.2Å; V93-R97 WeakPolarHBondContact O-CG 3.33Å; V93-R97 PolarHBondContact O-N 3.16Å
94E44.6Very low43Very low107 Ų10799.6 Ų99.650%0.551%0.506SS..Hα-helixtrans-62.2-38.9174.4-131.385.7-116.100112.8E90 H92 R97 S98E90-E94 WeakPolarHBondContact O-CB 3.42Å; E90-E94 PolarHBondContact O-N 3.36Å; H92-E94 VanDerWaalsContact C-N 3.33Å; E94-R97 CarbonylContact O-C 3.56Å; E94-R97 WeakPolarHBondContact O-CB 3.29Å; E94-R97 IonicContact OE1-NH1 3.65Å; E94-R97 PolarHBondContact OE1-NH1 3.46Å; E94-S98 PolarHBondContact O-N 3.46Å
95R47.1Very low42.2Very low157 Ų15797.9 Ų97.959%0.59250%0.5SS*.Hα-helixtrans-79.7-37.9-179.7-85.5179.1170.7169-1.3113.5Q91 H92 V93 R97 S98 L99Q91-R95 WeakPolarHBondContact O-CB 3.38Å; Q91-R95 WeakPolarHBondContact O-CG 3.37Å; Q91-R95 PolarHBondContact O-N 2.93Å; H92-R95 PolarHBondContact O-N 2.73Å; V93-R95 PolarHBondContact O-N 3.15Å; R95-R97 VanDerWaalsContact C-N 3.28Å; R95-S98 WeakPolarHBondContact CA-OG 3.27Å; R95-S98 WeakPolarHBondContact O-CB 3.44Å; R95-S98 PolarHBondContact O-N 3.07Å; R95-S98 PolarHBondContact O-OG 3.05Å; R95-L99 PolarHBondContact O-N 3.3Å; R95-L99 VanDerWaalsContact O-N 3.16Å
96A43.3Very low41.7Very low17 Ų1796.7 Ų96.714%0.1450%0.497CS..Hα-helixtrans-64.1-37167.600000110.8H92 S98 L99 S100 V112H92-A96 VanDerWaalsContact O-CB 3.26Å; H92-A96 WeakPolarHBondContact O-CB 3.2Å; H92-A96 PolarHBondContact O-N 2.67Å; A96-S98 VanDerWaalsContact C-N 3.26Å; A96-S98 PolarHBondContact O-N 2.96Å; A96-L99 PolarHBondContact O-N 3.1Å; A96-S100 PolarHBondContact O-N 3.42Å; A96-V112 HydrophobicContact CB-CG2 3.83Å
97R43.1Very low41.5Very low113 Ų11391.7 Ų91.743%0.42647%0.472SS..Hα-helixtrans-62.3-26.6166.9-81.4171-179.1171.71.6113.5V93 E94 R95 S100V93-R97 HydrophobicContact CG1-CG 4.4Å; V93-R97 WeakPolarHBondContact O-CB 3.4Å; V93-R97 WeakPolarHBondContact O-CD 3.2Å; V93-R97 WeakPolarHBondContact O-CG 3.33Å; V93-R97 PolarHBondContact O-N 3.16Å; E94-R97 CarbonylContact O-C 3.56Å; E94-R97 WeakPolarHBondContact O-CB 3.29Å; E94-R97 IonicContact OE1-NH1 3.65Å; E94-R97 PolarHBondContact OE1-NH1 3.46Å; R95-R97 VanDerWaalsContact C-N 3.28Å; R97-S100 CarbonylContact C-O 3.58Å
98S43Very low41.4Very low74 Ų7488.1 Ų88.152%0.51746%0.463SS..Hα-helixtrans-81.5-16.8175.177.80000113.5E94 R95 A96 S100E94-S98 PolarHBondContact O-N 3.46Å; R95-S98 WeakPolarHBondContact CA-OG 3.27Å; R95-S98 WeakPolarHBondContact O-CB 3.44Å; R95-S98 PolarHBondContact O-N 3.07Å; R95-S98 PolarHBondContact O-OG 3.05Å; A96-S98 VanDerWaalsContact C-N 3.26Å; A96-S98 PolarHBondContact O-N 2.96Å; S98-S100 CarbonylContact C-O 3.6Å
99L45.4Very low41.1Very low74 Ų7487.1 Ų87.139%0.38746%0.455SS..Hα-helixtrans-97.3-26.5173.9-73.5177.1000113.1L77 R95 A96L77-L99 HydrophobicContact CD1-CD1 3.82Å; L77-L99 HydrophobicContact CD2-CD1 3.27Å; L77-L99 HydrophobicContact CD2-CG 4.36Å; L77-L99 HydrophobicContact CG-CD1 3.38Å; R95-L99 PolarHBondContact O-N 3.3Å; R95-L99 VanDerWaalsContact O-N 3.16Å; A96-L99 PolarHBondContact O-N 3.1Å
100S41.5Very low40.9Very low34 Ų3486 Ų8624%0.23845%0.451CS..SBendtrans-72.6135.5153.8177.80000106.8A96 R97 S98 D102 E289A96-S100 PolarHBondContact O-N 3.42Å; R97-S100 CarbonylContact C-O 3.58Å; S98-S100 CarbonylContact C-O 3.6Å; S100-D102 PolarHBondContact O-N 2.9Å; S100-D102 VanDerWaalsContact O-N 3.16Å; S100-E289 PolarHBondContact OG-OE1 3.49Å
101T42.2Very low40.7Very low72 Ų7287 Ų8744%0.44245%0.448SS..SBendtrans-83.19.1-161.738.40000116K286T101-K286 HydrophobicContact CG2-CD 4.44Å; T101-K286 HydrophobicContact CG2-CG 4.39Å; T101-K286 WeakPolarHBondContact OG1-CG 3.42Å
102D36.3Very low40.8Very low84 Ų8484.4 Ų84.445%0.44944%0.44SS..  trans-131.1109.7179.1-81.2-32.5000112.3S100 V104 A105S100-D102 PolarHBondContact O-N 2.9Å; S100-D102 VanDerWaalsContact O-N 3.16Å; D102-V104 PolarHBondContact O-N 3.43Å; D102-A105 HydrophobicContact CB-CB 3.54Å
103N32.3Very low40.9Very low137 Ų13784.6 Ų84.673%0.73344%0.444SS*.SBendtrans-654.5168.7-72.6-23.8000113.6
104V34.3Very low41.6Very low132 Ų13287.6 Ų87.680%0.845%0.449SS*.SBendtrans-131.7-20.4-173.6-1720000112.8D102 M106D102-V104 PolarHBondContact O-N 3.43Å; V104-M106 PolarHBondContact O-N 2.91Å; V104-M106 VanDerWaalsContact O-N 3.09Å
105A31.8Very low43.2Very low45 Ų4584.3 Ų84.337%0.37243%0.434SS..  trans-84.591.2-176.600000111.2D102 S107D102-A105 HydrophobicContact CB-CB 3.54Å; A105-S107 PolarHBondContact O-N 2.85Å
106M37.2Very low44.8Very low153 Ų15383 Ų8375%0.75444%0.437SS*.  trans-72.770.3166.2-68.2-161.671.600110.4V104 P108V104-M106 PolarHBondContact O-N 2.91Å; V104-M106 VanDerWaalsContact O-N 3.09Å; M106-P108 WeakPolarHBondContact O-CD 3.45Å
107S37.1Very low46.7Very low27 Ų2784.5 Ų84.519%0.18945%0.445CS..  trans-68.1123.3163.2159.50000108A105 W109 T110 E292A105-S107 PolarHBondContact O-N 2.85Å; S107-W109 PolarHBondContact O-N 2.91Å; S107-W109 VanDerWaalsContact O-N 3.1Å; S107-W109 PolarHBondContact OG-N 2.92Å; S107-T110 WeakPolarHBondContact CB-OG1 3.24Å; S107-T110 PolarHBondContact OG-N 3.08Å; S107-T110 PolarHBondContact OG-OG1 3.21Å; S107-E292 PolarHBondContact OG-OE2 3.41Å
108P38.1Very low48.9Very low95 Ų9582.1 Ų82.162%0.61744%0.443SS*.SBendtrans-59.5-18.3173.3-21.532.1000113.2M106M106-P108 WeakPolarHBondContact O-CD 3.45Å
109W39.7Very low51.2Low90 Ų9083.9 Ų83.934%0.34145%0.451SS..SBendtrans-104-19.5-162.1-55102.1000114.2S107S107-W109 PolarHBondContact O-N 2.91Å; S107-W109 VanDerWaalsContact O-N 3.1Å; S107-W109 PolarHBondContact OG-N 2.92Å
110T42.1Very low53.3Low40 Ų4084.1 Ų84.125%0.24546%0.456CS..SBendtrans-97.98.5173.953.90000113.6S107 V112 E289S107-T110 WeakPolarHBondContact CB-OG1 3.24Å; S107-T110 PolarHBondContact OG-N 3.08Å; S107-T110 PolarHBondContact OG-OG1 3.21Å; T110-V112 PolarHBondContact O-N 2.92Å; T110-E289 HydrophobicContact CG2-CG 4.09Å
111R40.2Very low55.6Low182 Ų18284 Ų8469%0.68745%0.453SS*.  trans-59.1127.1179-153.6168.786.51484.1109.8S113R111-S113 PolarHBondContact O-N 3.47Å
112V45.3Very low58Low58 Ų5882.8 Ų82.835%0.35244%0.444SS..  trans-62.482.7161.4178.60000106.6D70 A96 T110D70-V112 WeakPolarHBondContact OD1-CG1 3.39Å; A96-V112 HydrophobicContact CB-CG2 3.83Å; T110-V112 PolarHBondContact O-N 2.92Å
113S46.9Very low60.7Low29 Ų2985 Ų8520%0.20346%0.455CS..PPolyproline II helixtrans-81.5134.8-179.4-167.40000107.1G65 R111G65-S113 CarbonylContact C-O 3.51Å; G65-S113 VanDerWaalsContact C-O 3.23Å; G65-S113 WeakPolarHBondContact CA-O 3.43Å; G65-S113 PolarHBondContact N-OG 3.36Å; G65-S113 VanDerWaalsContact O-O 3.07Å; R111-S113 PolarHBondContact O-N 3.47Å
114R62.4Low63.5Low120 Ų12084.2 Ų84.245%0.45345%0.447SS..PPolyproline II helixtrans-81131.8176.2-71.4176.2170.8-155.5-14.8109G65 I89 I116G65-R114 VanDerWaalsContact CA-C 3.45Å; I89-R114 VanDerWaalsContact CG1-NH2 3.25Å; R114-I116 PolarHBondContact O-N 3.4Å
115F78.1Confident66.3Low38 Ų3880.4 Ų80.417%0.16742%0.42CS..PPolyproline II helixtrans-67.8120170.3-177.3-111000109.5G65 P117 T121 H189 E190 L193G65-F115 VanDerWaalsContact CA-N 3.32Å; F115-P117 HydrophobicContact CE1-CB 3.81Å; F115-P117 HydrophobicContact CZ-CB 4.31Å; F115-T121 HydrophobicContact CE2-CG2 4.35Å; F115-T121 HydrophobicContact CZ-CG2 4.13Å; F115-H189 HydrophobicContact CD1-CB 4.07Å; F115-H189 HydrophobicContact CE1-CB 3.9Å; F115-E190 HydrophobicContact CB-CG 3.88Å; F115-E190 HydrophobicContact CD1-CG 3.83Å; F115-E190 HydrophobicContact CG-CG 4.01Å; F115-L193 HydrophobicContact CE1-CD1 3.83Å; F115-L193 HydrophobicContact CE2-CD1 3.83Å; F115-L193 HydrophobicContact CZ-CD1 3.24Å; F115-L193 HydrophobicContact CZ-CG 4.38Å
116I80.7Confident69.2Low129 Ų12979.4 Ų79.466%0.66241%0.412SS*.  trans-107.4103.9175.6-59177.4000106.3R114R114-I116 PolarHBondContact O-N 3.4Å
117P82.6Confident71.5Confident49 Ų4975.8 Ų75.832%0.31839%0.393SS..  trans-66.2137.5178.527.7-34.4000110.2F115 H189F115-P117 HydrophobicContact CE1-CB 3.81Å; F115-P117 HydrophobicContact CZ-CB 4.31Å; P117-H189 HydrophobicContact CB-CB 4.05Å; P117-H189 HydrophobicContact CG-CB 4.11Å
118T88.9Confident73.9Confident63 Ų6377.6 Ų77.639%0.38742%0.416SS..  trans-124.4156.7168.872.40000109.2T120 T121 I122T118-T120 PolarHBondContact O-N 3.44Å; T118-T121 PolarHBondContact O-N 3.32Å; T118-T121 PolarHBondContact OG1-N 3.23Å; T118-T121 VanDerWaalsContact OG1-N 3.08Å; T118-T121 PolarHBondContact OG1-OG1 3.19Å; T118-I122 PolarHBondContact O-N 3.17Å
119T91.3Very high76.3Confident111 Ų11182 Ų8268%0.68142%0.42SS*.Hα-helixtrans-57.2-38.7172.548.10000111.2T121 I122 L123T119-T121 PolarHBondContact O-N 3.5Å; T119-I122 PolarHBondContact O-N 3.28Å; T119-L123 WeakPolarHBondContact O-CG 3.48Å; T119-L123 PolarHBondContact O-N 3.5Å
120T91.3Very high78.9Confident79 Ų7982.6 Ų82.649%0.48544%0.436SS..Hα-helixtrans-57.6-49.2175.3-52.20000111.9T118 I122 L123 E124T118-T120 PolarHBondContact O-N 3.44Å; T120-I122 VanDerWaalsContact C-N 3.28Å; T120-I122 PolarHBondContact O-N 2.91Å; T120-L123 PolarHBondContact O-N 3.08Å; T120-L123 VanDerWaalsContact O-N 3.12Å; T120-E124 WeakPolarHBondContact O-CG 3.47Å; T120-E124 PolarHBondContact O-N 3.31Å
121T89.5Confident81.4Confident30 Ų3083.2 Ų83.218%0.18444%0.44CS..Hα-helixtrans-61.8-37.5179.7-48.80000111.9F115 T118 T119 F125 L193F115-T121 HydrophobicContact CE2-CG2 4.35Å; F115-T121 HydrophobicContact CZ-CG2 4.13Å; T118-T121 PolarHBondContact O-N 3.32Å; T118-T121 PolarHBondContact OG1-N 3.23Å; T118-T121 VanDerWaalsContact OG1-N 3.08Å; T118-T121 PolarHBondContact OG1-OG1 3.19Å; T119-T121 PolarHBondContact O-N 3.5Å; T121-F125 VanDerWaalsContact O-CD2 3.28Å; T121-F125 WeakPolarHBondContact O-CD2 3.41Å; T121-F125 PolarHBondContact O-N 3.41Å; T121-L193 HydrophobicContact CG2-CD1 3.66Å; T121-L193 HydrophobicContact CG2-CD2 4.29Å
122I91.4Very high84Confident48 Ų4881.1 Ų81.125%0.24644%0.436CS..Hα-helixtrans-66.3-44.1175.5-65.1165.9000110.4T118 T119 T120 E124 F125 A126 F206T118-I122 PolarHBondContact O-N 3.17Å; T119-I122 PolarHBondContact O-N 3.28Å; T120-I122 VanDerWaalsContact C-N 3.28Å; T120-I122 PolarHBondContact O-N 2.91Å; I122-E124 VanDerWaalsContact C-N 3.33Å; I122-E124 PolarHBondContact O-N 3.3Å; I122-F125 CarbonylContact O-C 3.59Å; I122-F125 PolarHBondContact O-N 3.47Å; I122-F125 VanDerWaalsContact O-N 3.11Å; I122-A126 WeakPolarHBondContact O-CB 3.39Å; I122-A126 PolarHBondContact O-N 3.38Å; I122-F206 HydrophobicContact CD1-CE2 3.88Å; I122-F206 HydrophobicContact CD1-CZ 4.15Å; I122-F206 HydrophobicContact CG1-CZ 4.5Å; I122-F206 HydrophobicContact CG2-CZ 4.12Å
123L92.5Very high86.2Confident130 Ų13085.3 Ų85.368%0.68146%0.464SS*.Hα-helixtrans-64.5-34.3179.2-72172.5000113T119 T120 F125T119-L123 WeakPolarHBondContact O-CG 3.48Å; T119-L123 PolarHBondContact O-N 3.5Å; T120-L123 PolarHBondContact O-N 3.08Å; T120-L123 VanDerWaalsContact O-N 3.12Å; L123-F125 PolarHBondContact O-N 2.79Å
124E92.2Very high88.5Confident121 Ų12189.7 Ų89.757%0.56549%0.49SS*.Hα-helixtrans-62.9-31.2173.9-72.8169.7173.500112T120 I122T120-E124 WeakPolarHBondContact O-CG 3.47Å; T120-E124 PolarHBondContact O-N 3.31Å; I122-E124 VanDerWaalsContact C-N 3.33Å; I122-E124 PolarHBondContact O-N 3.3Å
125F93.4Very high90.1Very high51 Ų5185.3 Ų85.322%0.22448%0.476CS..Hα-helixtrans-97.1-21.4-178.6-81.5-111.6000113.7K6 W7 T121 I122 L123 L193 L196 A197K6-F125 PolarHBondContact NZ-O 3.05Å; W7-F125 AromaticContact CH2-CD1 3.64Å; W7-F125 HydrophobicContact CH2-CD1 3.64Å; W7-F125 HydrophobicContact CH2-CD2 4.29Å; W7-F125 AromaticContact CH2-CE1 3.68Å; W7-F125 HydrophobicContact CH2-CE1 3.68Å; W7-F125 HydrophobicContact CH2-CE2 4.33Å; W7-F125 AromaticContact CH2-CG 3.96Å; W7-F125 HydrophobicContact CH2-CG 3.96Å; W7-F125 HydrophobicContact CH2-CZ 4.04Å; W7-F125 HydrophobicContact CZ3-CD1 4.39Å; W7-F125 HydrophobicContact CZ3-CE1 4.09Å; T121-F125 VanDerWaalsContact O-CD2 3.28Å; T121-F125 WeakPolarHBondContact O-CD2 3.41Å; T121-F125 PolarHBondContact O-N 3.41Å; I122-F125 CarbonylContact O-C 3.59Å; I122-F125 PolarHBondContact O-N 3.47Å; I122-F125 VanDerWaalsContact O-N 3.11Å; L123-F125 PolarHBondContact O-N 2.79Å; F125-L193 HydrophobicContact CB-CD2 3.82Å; F125-L193 HydrophobicContact CD1-CB 4.09Å; F125-L193 HydrophobicContact CD1-CD2 4.15Å; F125-L193 WeakPolarHBondContact CD1-O 3.17Å; F125-L193 HydrophobicContact CD2-CD2 4Å; F125-L193 HydrophobicContact CE1-CB 4.21Å; F125-L193 HydrophobicContact CG-CD2 3.73Å; F125-L196 HydrophobicContact CB-CB 3.99Å; F125-L196 HydrophobicContact CB-CD1 4.2Å; F125-A197 HydrophobicContact CD1-CB 4.18Å; F125-A197 HydrophobicContact CE1-CB 4.1Å
126A92.3Very high91Very high25 Ų2587.4 Ų87.421%0.20749%0.485CS..  trans-81.5147.2178.700000111.3I122I122-A126 WeakPolarHBondContact O-CB 3.39Å; I122-A126 PolarHBondContact O-N 3.38Å
127E86.4Confident91.9Very high76 Ų7681.4 Ų81.436%0.35545%0.454SS..  trans-76.9-29.8168.8-63.3-167.9150.400111.8R129 N202E127-R129 PolarHBondContact O-N 2.86Å; E127-N202 PolarHBondContact OE2-ND2 2.98Å; E127-N202 VanDerWaalsContact OE2-ND2 3.08Å
128G85.8Confident92.6Very high66 Ų6679.1 Ų79.168%0.6844%0.439SS*.  trans67.417.4177.700000114.6
129R90.1Very high93.1Very high187 Ų18776.1 Ų76.171%0.70642%0.421SS*.  trans-105.9122.2-179-64.3-179.8-171.8172.13.4109.9E127 Y164E127-R129 PolarHBondContact O-N 2.86Å; R129-Y164 VanDerWaalsContact O-CE2 3.29Å; R129-Y164 WeakPolarHBondContact O-CE2 3.34Å; R129-Y164 PolarHBondContact O-OH 3.09Å
130P92.9Very high93.4Very high102 Ų10270.9 Ų70.966%0.66239%0.389SS*.PPolyproline II helixtrans-70160.5174.730.7-35.2000111.6
131P94.9Very high93.6Very high53 Ų5368.1 Ų68.134%0.34437%0.372SS..PPolyproline II helixtrans-61.4140.6173.125.8-33.1000110.6D135 V137 Y164P131-D135 HydrophobicContact CB-CB 4.34Å; P131-V137 HydrophobicContact CB-CG2 4.02Å; P131-V137 HydrophobicContact CG-CG2 4.3Å; P131-Y164 HydrophobicContact CB-CD1 4.12Å; P131-Y164 HydrophobicContact CB-CD2 3.73Å; P131-Y164 HydrophobicContact CB-CE1 4.47Å; P131-Y164 HydrophobicContact CB-CE2 4.12Å; P131-Y164 HydrophobicContact CB-CG 3.72Å; P131-Y164 HydrophobicContact CG-CD1 4.47Å; P131-Y164 HydrophobicContact CG-CE1 4.47Å
132K94.7Very high93.8Very high139 Ų13967.4 Ų67.460%0.60437%0.371SS*.PPolyproline II helixtrans-70.7156.3171.9-57.9170.2-174.5165.40109.5T134 D135K132-T134 PolarHBondContact O-N 2.97Å; K132-D135 HydrophobicContact CB-CB 4.42Å; K132-D135 WeakPolarHBondContact CB-OD2 3.33Å; K132-D135 WeakPolarHBondContact CG-OD2 3.28Å; K132-D135 PolarHBondContact N-OD2 3.36Å; K132-D135 WeakPolarHBondContact O-CB 3.4Å; K132-D135 PolarHBondContact O-N 3.29Å
133P92.3Very high93.9Very high145 Ų14565.6 Ų65.694%0.94236%0.362SS*.THydrogen-bonded Turntrans-58-21.3177.5-26.235.3000115
134T94.9Very high94Very high121 Ų12159.6 Ų59.674%0.74233%0.331SS*.THydrogen-bonded Turntrans-93.8-12178.253.50000113.6K132K132-T134 PolarHBondContact O-N 2.97Å
135D96.5Very high94.1Very high29 Ų2953.9 Ų53.916%0.15530%0.304CS..  trans-74.1134.6-173.9-70.2-9.8000109.8P131 K132 V137 D163P131-D135 HydrophobicContact CB-CB 4.34Å; K132-D135 HydrophobicContact CB-CB 4.42Å; K132-D135 WeakPolarHBondContact CB-OD2 3.33Å; K132-D135 WeakPolarHBondContact CG-OD2 3.28Å; K132-D135 PolarHBondContact N-OD2 3.36Å; K132-D135 WeakPolarHBondContact O-CB 3.4Å; K132-D135 PolarHBondContact O-N 3.29Å; D135-V137 PolarHBondContact O-N 3.07Å; D135-D163 HydrophobicContact CB-CB 3.89Å
136K97.8Very high94Very high82 Ų8252.2 Ų52.236%0.35730%0.297SS..  trans-82.1114.7170.1-172.2177.7172-156.30109.8F161 G162 D163 Y164 Q223K136-F161 WeakPolarHBondContact CD-O 3.34Å; K136-F161 WeakPolarHBondContact CE-O 3.08Å; K136-F161 PolarHBondContact NZ-O 3.49Å; K136-G162 CarbonylContact O-C 3.49Å; K136-G162 WeakPolarHBondContact O-CA 3.15Å; K136-D163 PolarHBondContact N-OD2 3.21Å; K136-D163 PolarHBondContact O-N 2.83Å; K136-Y164 PolarHBondContact O-N 3.07Å; K136-Q223 HydrophobicContact CD-CB 4.44Å; K136-Q223 HydrophobicContact CG-CB 3.74Å; K136-Q223 HydrophobicContact CG-CG 4.25Å
137V98.3Very high94.2Very high3 Ų352 Ų522%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-83.8124.4-178.8-175.80000110.3P131 D135 Y164 I166 N221 V222 Q223 A224P131-V137 HydrophobicContact CB-CG2 4.02Å; P131-V137 HydrophobicContact CG-CG2 4.3Å; D135-V137 PolarHBondContact O-N 3.07Å; V137-Y164 WeakPolarHBondContact CA-O 3.44Å; V137-Y164 HydrophobicContact CG1-CD1 4.47Å; V137-I166 HydrophobicContact CG1-CD1 3.52Å; V137-I166 HydrophobicContact CG1-CG1 3.92Å; V137-N221 WeakPolarHBondContact CB-O 3.47Å; V137-V222 HydrophobicContact CG1-CG2 4.39Å; V137-Q223 PolarHBondContact O-N 3.04Å; V137-A224 PolarHBondContact O-N 3.37Å
138V98.4Very high94.6Very high0 Ų048.9 Ų48.90%028%0.277CS..EExtended strand (participates in β ladder)trans-109.6135.4176.9-1740000108.9F161 Y164 L165 I166 A224 I226V138-F161 HydrophobicContact CG1-CB 4.49Å; V138-F161 HydrophobicContact CG2-CB 4.08Å; V138-Y164 PolarHBondContact N-O 3.35Å; V138-L165 HydrophobicContact CB-CD1 3.95Å; V138-L165 HydrophobicContact CG1-CD1 3.83Å; V138-I166 PolarHBondContact O-N 3.04Å; V138-A224 CarbonylContact C-O 3.58Å; V138-A224 WeakPolarHBondContact CA-O 3.41Å; V138-A224 HydrophobicContact CG1-CB 4.45Å; V138-A224 HydrophobicContact CG2-CB 4.41Å; V138-I226 HydrophobicContact CG1-CD1 4.28Å; V138-I226 HydrophobicContact CG1-CG1 3.46Å; V138-I226 VanDerWaalsContact CG1-CG1 3.46Å
139Y98.4Very high95Very high1 Ų149.1 Ų49.10%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-118.1136176.3-175.6-101.6000111.2T141 I166 V205 I212 I216 A224 V225 I226Y139-T141 HydrophobicContact CE1-CG2 4.31Å; Y139-I166 WeakPolarHBondContact CA-O 3.33Å; Y139-I166 HydrophobicContact CD2-CB 3.98Å; Y139-I166 HydrophobicContact CD2-CG2 3.82Å; Y139-I166 HydrophobicContact CE2-CG2 4.08Å; Y139-V205 HydrophobicContact CE2-CG2 4.33Å; Y139-I212 HydrophobicContact CD1-CD1 4.19Å; Y139-I212 HydrophobicContact CE1-CD1 4.07Å; Y139-I212 HydrophobicContact CE1-CG1 4.15Å; Y139-I216 HydrophobicContact CD2-CG2 4.48Å; Y139-I216 HydrophobicContact CE1-CG2 4.49Å; Y139-I216 HydrophobicContact CE2-CG2 4.08Å; Y139-A224 PolarHBondContact N-O 3.19Å; Y139-V225 VanDerWaalsContact O-CA 3.3Å; Y139-V225 WeakPolarHBondContact O-CA 3.28Å; Y139-I226 PolarHBondContact O-N 3.31Å
140V97.8Very high95.2Very high0 Ų040.5 Ų40.50%023%0.231CC..EExtended strand (participates in β ladder)trans-131.8152.4169.9-57.90000108.6F144 F154 L155 A158 L165 I166 V167 G168 I226V140-F144 HydrophobicContact CG2-CZ 4.15Å; V140-F154 HydrophobicContact CB-CE1 4.01Å; V140-F154 HydrophobicContact CB-CZ 4.05Å; V140-F154 HydrophobicContact CG1-CE1 4.07Å; V140-F154 HydrophobicContact CG1-CZ 3.79Å; V140-F154 HydrophobicContact CG2-CE1 4.32Å; V140-L155 HydrophobicContact CG2-CD2 3.69Å; V140-A158 HydrophobicContact CG1-CB 3.8Å; V140-L165 HydrophobicContact CG1-CD1 4Å; V140-L165 HydrophobicContact CG2-CD1 4.15Å; V140-I166 PolarHBondContact N-O 3.26Å; V140-V167 HydrophobicContact CG2-CB 4.1Å; V140-V167 HydrophobicContact CG2-CG1 3.99Å; V140-V167 HydrophobicContact CG2-CG2 3.72Å; V140-V167 CarbonylContact O-C 3.53Å; V140-G168 PolarHBondContact O-N 2.87Å; V140-I226 HydrophobicContact CG1-CB 3.87Å; V140-I226 HydrophobicContact CG1-CG1 4.46Å; V140-I226 WeakPolarHBondContact CG1-O 3.47Å
141T95.7Very high95.4Very high21 Ų2137 Ų3713%0.12921%0.206CC..EExtended strand (participates in β ladder)trans-138.3149.1177.7-172.40000111.1Y139 G168 I212 F247Y139-T141 HydrophobicContact CE1-CG2 4.31Å; T141-G168 WeakPolarHBondContact CA-O 3.46Å; T141-G168 PolarHBondContact OG1-O 3.21Å; T141-I212 HydrophobicContact CG2-CD1 4.08Å; T141-I212 HydrophobicContact CG2-CG1 4.22Å; T141-F247 HydrophobicContact CG2-CE1 4.37Å
142G93.9Very high95.5Very high16 Ų1634.6 Ų34.617%0.16519%0.19CC..EExtended strand (participates in β ladder)trans175.2-176.6179.600000114.5G168 L170G142-G168 PolarHBondContact N-O 2.79Å; G142-L170 WeakPolarHBondContact O-CG 3.44Å; G142-L170 PolarHBondContact O-N 3.31Å
143S92.9Very high95.6Very high9 Ų928.9 Ų28.96%0.06317%0.169CC..  trans-73.2-44.7172.2450000112D145 Y178 R191S143-D145 PolarHBondContact O-N 2.92Å; S143-Y178 WeakPolarHBondContact CB-OH 3.35Å; S143-Y178 PolarHBondContact OG-OH 3.09Å; S143-Y178 VanDerWaalsContact OG-OH 3.08Å; S143-R191 WeakPolarHBondContact O-CD 3.14Å; S143-R191 PolarHBondContact O-NH1 3.36Å
144F95.6Very high95.8Very high5 Ų523 Ų232%0.02213%0.128CC..  trans50.535.5-171.9-61.7-86.1000112.9V140 F147 H151 F154 L155 V167 I169 V195V140-F144 HydrophobicContact CG2-CZ 4.15Å; F144-F147 HydrophobicContact CB-CD2 4.47Å; F144-F147 HydrophobicContact CD1-CD2 4.27Å; F144-F147 HydrophobicContact CD1-CE2 4.12Å; F144-H151 HydrophobicContact CD1-CB 4.04Å; F144-H151 AromaticContact CD1-CD2 3.78Å; F144-H151 AromaticContact CD1-CG 3.84Å; F144-H151 HydrophobicContact CE1-CB 4.36Å; F144-F154 HydrophobicContact CE1-CD1 4.44Å; F144-F154 HydrophobicContact CZ-CE1 4.26Å; F144-L155 HydrophobicContact CE1-CD1 4.07Å; F144-L155 HydrophobicContact CE1-CD2 3.94Å; F144-L155 HydrophobicContact CE1-CG 4.12Å; F144-L155 HydrophobicContact CZ-CD2 4.11Å; F144-V167 HydrophobicContact CD2-CG1 3.8Å; F144-V167 HydrophobicContact CE1-CG1 4.2Å; F144-V167 HydrophobicContact CE2-CG1 3.3Å; F144-V167 HydrophobicContact CG-CG1 4.42Å; F144-V167 HydrophobicContact CZ-CG1 3.53Å; F144-I169 HydrophobicContact CB-CD1 4.03Å; F144-I169 HydrophobicContact CD2-CD1 3.55Å; F144-I169 HydrophobicContact CE2-CD1 4.32Å; F144-I169 HydrophobicContact CG-CD1 4.02Å; F144-V195 HydrophobicContact CB-CG2 3.66Å; F144-V195 HydrophobicContact CD1-CG2 4.24Å; F144-V195 HydrophobicContact CG-CG2 3.98Å
145D93.1Very high95.9Very high0 Ų017.2 Ų17.20%09%0.093CC..THydrogen-bonded Turntrans-76.6137.7179.4-171.326.6000110.8S143 H183 P184 I185 M186 T267S143-D145 PolarHBondContact O-N 2.92Å; D145-H183 IonicContact OD2-ND1 2.96Å; D145-H183 PolarHBondContact OD2-ND1 3.25Å; D145-P184 HydrophobicContact CB-CB 4.13Å; D145-P184 WeakPolarHBondContact OD2-CA 3.38Å; D145-I185 VanDerWaalsContact CG-N 3.26Å; D145-I185 PolarHBondContact OD1-N 3.06Å; D145-I185 PolarHBondContact OD2-N 2.8Å; D145-M186 PolarHBondContact OD1-N 3.12Å; D145-T267 HydrophobicContact CB-CG2 4.26Å; D145-T267 PolarHBondContact O-OG1 2.88Å; D145-T267 VanDerWaalsContact O-OG1 3.14Å
146L92.4Very high96Very high16 Ų1620.3 Ų20.38%0.08411%0.106CC..THydrogen-bonded Turntrans44.663.9-168.9-61.2175.8000111.9L71 M75 H148 I185 M186 T267 I270 I271L71-L146 HydrophobicContact CD1-CD2 4.4Å; L71-L146 HydrophobicContact CD2-CD2 4.43Å; M75-L146 HydrophobicContact CE-CD1 3.36Å; M75-L146 HydrophobicContact CE-CD2 3.63Å; M75-L146 HydrophobicContact CE-CG 4.16Å; M75-L146 HydrophobicContact SD-CD1 3.99Å; L146-H148 WeakPolarHBondContact O-CB 3.34Å; L146-H148 PolarHBondContact O-CD2 2.92Å; L146-H148 PolarHBondContact O-N 2.63Å; L146-H148 VanDerWaalsContact O-N 3.16Å; L146-I185 HydrophobicContact CD1-CB 4.31Å; L146-I185 HydrophobicContact CD1-CG1 4.12Å; L146-I185 HydrophobicContact CD1-CG2 4.49Å; L146-I185 HydrophobicContact CD2-CB 4.16Å; L146-I185 HydrophobicContact CD2-CG2 3.97Å; L146-I185 HydrophobicContact CG-CB 4.08Å; L146-I185 HydrophobicContact CG-CG1 4.36Å; L146-I185 HydrophobicContact CG-CG2 4.38Å; L146-M186 HydrophobicContact CD2-CG 4Å; L146-M186 HydrophobicContact CD2-SD 3.93Å; L146-T267 HydrophobicContact CB-CG2 4.22Å; L146-T267 HydrophobicContact CD1-CG2 3.81Å; L146-T267 HydrophobicContact CG-CG2 4.14Å; L146-I270 HydrophobicContact CD1-CG2 4.26Å; L146-I271 HydrophobicContact CD1-CG1 4.3Å
147F95.9Very high95.9Very high22 Ų2220.3 Ų20.310%0.09611%0.107CC..  trans-44.4123.6-173.7-167.4-80000112.6M1 F144 H151 L152 L155 V195 Y198M1-F147 HydrophobicContact CE-CD1 4.19Å; F144-F147 HydrophobicContact CB-CD2 4.47Å; F144-F147 HydrophobicContact CD1-CD2 4.27Å; F144-F147 HydrophobicContact CD1-CE2 4.12Å; F147-H151 HydrophobicContact CD2-CB 4.01Å; F147-H151 HydrophobicContact CE1-CB 4.36Å; F147-H151 HydrophobicContact CE2-CB 3.74Å; F147-H151 HydrophobicContact CG-CB 4.46Å; F147-H151 HydrophobicContact CZ-CB 3.94Å; F147-L152 HydrophobicContact CE1-CB 4.16Å; F147-L152 HydrophobicContact CZ-CB 4.45Å; F147-L155 HydrophobicContact CE2-CD1 3.71Å; F147-L155 HydrophobicContact CZ-CD1 3.79Å; F147-V195 HydrophobicContact CD2-CG2 3.62Å; F147-V195 HydrophobicContact CE2-CG2 3.89Å; F147-Y198 AromaticContact CD1-CD2 3.81Å; F147-Y198 HydrophobicContact CD1-CD2 3.81Å; F147-Y198 HydrophobicContact CD1-CE1 4.39Å; F147-Y198 AromaticContact CD1-CE2 3.28Å; F147-Y198 HydrophobicContact CD1-CE2 3.28Å; F147-Y198 AromaticContact CD1-CZ 3.63Å; F147-Y198 AromaticContact CE1-CD1 3.91Å; F147-Y198 HydrophobicContact CE1-CD1 3.91Å; F147-Y198 AromaticContact CE1-CD2 3.37Å; F147-Y198 HydrophobicContact CE1-CD2 3.37Å; F147-Y198 AromaticContact CE1-CE1 3.8Å; F147-Y198 HydrophobicContact CE1-CE1 3.8Å; F147-Y198 AromaticContact CE1-CE2 3.25Å; F147-Y198 HydrophobicContact CE1-CE2 3.25Å; F147-Y198 AromaticContact CE1-CG 3.71Å; F147-Y198 HydrophobicContact CE1-CG 3.71Å; F147-Y198 AromaticContact CE1-CZ 3.47Å; F147-Y198 VanDerWaalsContact CE1-CZ 3.47Å; F147-Y198 HydrophobicContact CE2-CD2 4.46Å; F147-Y198 HydrophobicContact CG-CE2 4.16Å; F147-Y198 HydrophobicContact CZ-CD1 4.42Å; F147-Y198 AromaticContact CZ-CD2 3.73Å; F147-Y198 HydrophobicContact CZ-CD2 3.73Å; F147-Y198 HydrophobicContact CZ-CE2 4.08Å; F147-Y198 AromaticContact CZ-CG 3.92Å; F147-Y198 HydrophobicContact CZ-CG 3.92Å
148H95Very high95.9Very high10 Ų1020.2 Ų20.25%0.04611%0.106CC..  trans-143175.9-164.757.163.3000111.8M1 L146 G150 H151 L152 M265 T267 I270M1-H148 VanDerWaalsContact SD-C 3.55Å; L146-H148 WeakPolarHBondContact O-CB 3.34Å; L146-H148 PolarHBondContact O-CD2 2.92Å; L146-H148 PolarHBondContact O-N 2.63Å; L146-H148 VanDerWaalsContact O-N 3.16Å; H148-G150 VanDerWaalsContact C-N 3.26Å; H148-G150 PolarHBondContact ND1-N 3.21Å; H148-G150 PolarHBondContact O-N 2.73Å; H148-H151 AromaticContact CD2-CE1 3.61Å; H148-H151 AromaticContact CD2-ND1 3.64Å; H148-H151 AromaticContact CE1-CE1 3.51Å; H148-H151 AromaticContact CE1-CG 3.87Å; H148-H151 AromaticContact CE1-ND1 3.55Å; H148-H151 AromaticContact CE1-NE2 3.83Å; H148-H151 AromaticContact CG-ND1 3.77Å; H148-H151 PolarHBondContact ND1-N 3.03Å; H148-H151 AromaticContact ND1-ND1 3.71Å; H148-H151 AromaticContact NE2-CE1 3.17Å; H148-H151 PolarHBondContact NE2-CE1 3.23Å; H148-H151 AromaticContact NE2-ND1 3.53Å; H148-H151 AromaticContact NE2-NE2 3.76Å; H148-H151 WeakPolarHBondContact O-CB 3.34Å; H148-H151 PolarHBondContact O-N 3.12Å; H148-L152 PolarHBondContact O-N 2.9Å; H148-L152 VanDerWaalsContact O-N 3.12Å; H148-M265 HydrophobicContact CB-CG 4.41Å; H148-M265 PolarHBondContact CE1-O 2.96Å; H148-M265 VanDerWaalsContact CE1-O 3.25Å; H148-T267 PolarHBondContact NE2-N 3.03Å; H148-I270 HydrophobicContact CB-CD1 3.42Å; H148-I270 VanDerWaalsContact CB-CD1 3.42Å; H148-I270 WeakPolarHBondContact CD2-CD1 3.2Å
149I94.5Very high95.8Very high70 Ų7022.7 Ų22.736%0.35912%0.117SC..Hα-helixtrans-58.9-35.4-172.1-168.359.5000113.3M1 H151 L152 A153 M265M1-I149 HydrophobicContact CG-CB 4.1Å; M1-I149 HydrophobicContact CG-CD1 4.1Å; M1-I149 WeakPolarHBondContact SD-CA 3.21Å; M1-I149 HydrophobicContact SD-CB 3.78Å; M1-I149 HydrophobicContact SD-CD1 3.87Å; M1-I149 HydrophobicContact SD-CG1 4.43Å; M1-I149 PolarHBondContact SD-N 2.94Å; I149-H151 PolarHBondContact O-N 3.31Å; I149-L152 HydrophobicContact CD1-CB 4.44Å; I149-L152 HydrophobicContact CD1-CD2 4.11Å; I149-L152 PolarHBondContact O-N 3.38Å; I149-A153 WeakPolarHBondContact O-CB 3.17Å; I149-A153 PolarHBondContact O-N 2.96Å; I149-M265 HydrophobicContact CG2-CB 4.01Å; I149-M265 HydrophobicContact CG2-CG 4.1Å
150G94.1Very high95.7Very high6 Ų628.9 Ų28.96%0.06215%0.146CC..Hα-helixtrans-60.6-39.9173.500000113.8H148 F154 S263H148-G150 VanDerWaalsContact C-N 3.26Å; H148-G150 PolarHBondContact ND1-N 3.21Å; H148-G150 PolarHBondContact O-N 2.73Å; G150-F154 VanDerWaalsContact O-CB 3.29Å; G150-F154 WeakPolarHBondContact O-CB 3.33Å; G150-F154 PolarHBondContact O-N 3.33Å; G150-S263 VanDerWaalsContact CA-OG 3.29Å; G150-S263 WeakPolarHBondContact CA-OG 3.3Å
151H96.4Very high95.7Very high28 Ų2831.8 Ų31.813%0.1316%0.158CC..Hα-helixtrans-67.1-43.1174.3-64.7134.6000111F144 F147 H148 I149 F154 L155F144-H151 HydrophobicContact CD1-CB 4.04Å; F144-H151 AromaticContact CD1-CD2 3.78Å; F144-H151 AromaticContact CD1-CG 3.84Å; F144-H151 HydrophobicContact CE1-CB 4.36Å; F147-H151 HydrophobicContact CD2-CB 4.01Å; F147-H151 HydrophobicContact CE1-CB 4.36Å; F147-H151 HydrophobicContact CE2-CB 3.74Å; F147-H151 HydrophobicContact CG-CB 4.46Å; F147-H151 HydrophobicContact CZ-CB 3.94Å; H148-H151 AromaticContact CD2-CE1 3.61Å; H148-H151 AromaticContact CD2-ND1 3.64Å; H148-H151 AromaticContact CE1-CE1 3.51Å; H148-H151 AromaticContact CE1-CG 3.87Å; H148-H151 AromaticContact CE1-ND1 3.55Å; H148-H151 AromaticContact CE1-NE2 3.83Å; H148-H151 AromaticContact CG-ND1 3.77Å; H148-H151 PolarHBondContact ND1-N 3.03Å; H148-H151 AromaticContact ND1-ND1 3.71Å; H148-H151 AromaticContact NE2-CE1 3.17Å; H148-H151 PolarHBondContact NE2-CE1 3.23Å; H148-H151 AromaticContact NE2-ND1 3.53Å; H148-H151 AromaticContact NE2-NE2 3.76Å; H148-H151 WeakPolarHBondContact O-CB 3.34Å; H148-H151 PolarHBondContact O-N 3.12Å; I149-H151 PolarHBondContact O-N 3.31Å; H151-F154 PolarHBondContact O-N 2.75Å; H151-L155 WeakPolarHBondContact O-CB 3.48Å; H151-L155 VanDerWaalsContact O-CG 3.24Å; H151-L155 WeakPolarHBondContact O-CG 3.32Å; H151-L155 PolarHBondContact O-N 3.06Å
152L96.9Very high95.7Very high4 Ų431.4 Ų31.42%0.02116%0.159CC..Hα-helixtrans-60.5-50.9178178.557000111.6M1 F147 H148 I149 F154 L155 E156 Y198 P200M1-L152 HydrophobicContact SD-CB 4.38Å; M1-L152 HydrophobicContact SD-CD2 4.21Å; F147-L152 HydrophobicContact CE1-CB 4.16Å; F147-L152 HydrophobicContact CZ-CB 4.45Å; H148-L152 PolarHBondContact O-N 2.9Å; H148-L152 VanDerWaalsContact O-N 3.12Å; I149-L152 HydrophobicContact CD1-CB 4.44Å; I149-L152 HydrophobicContact CD1-CD2 4.11Å; I149-L152 PolarHBondContact O-N 3.38Å; L152-F154 VanDerWaalsContact C-N 3.29Å; L152-F154 PolarHBondContact O-N 2.98Å; L152-L155 PolarHBondContact O-N 3.31Å; L152-L155 VanDerWaalsContact O-N 3.12Å; L152-E156 HydrophobicContact CD1-CG 4.11Å; L152-E156 HydrophobicContact CG-CG 4.48Å; L152-E156 WeakPolarHBondContact O-CG 3.45Å; L152-E156 PolarHBondContact O-N 3.15Å; L152-Y198 HydrophobicContact CD1-CD1 3.62Å; L152-Y198 HydrophobicContact CD1-CE1 4.32Å; L152-Y198 HydrophobicContact CD1-CG 4.35Å; L152-Y198 HydrophobicContact CD2-CD1 4.08Å; L152-Y198 HydrophobicContact CD2-CE1 3.97Å; L152-Y198 HydrophobicContact CG-CD1 4.34Å; L152-P200 HydrophobicContact CD1-CG 4.17Å
153A96.4Very high95.9Very high18 Ų1835.1 Ų35.115%0.14918%0.175CC..Hα-helixtrans-59.9-40.3178.800000111.8I149 K157I149-A153 WeakPolarHBondContact O-CB 3.17Å; I149-A153 PolarHBondContact O-N 2.96Å; A153-K157 WeakPolarHBondContact O-CG 3.42Å; A153-K157 PolarHBondContact O-N 3.19Å; A153-K157 VanDerWaalsContact O-N 3.12Å
154F97.1Very high96.1Very high22 Ų2235.2 Ų35.210%0.09617%0.174CC..Hα-helixtrans-61.7-47.2172.9166.7-111.2000112.4V140 F144 G150 H151 L152 K157 A158 I226 G228 V259V140-F154 HydrophobicContact CB-CE1 4.01Å; V140-F154 HydrophobicContact CB-CZ 4.05Å; V140-F154 HydrophobicContact CG1-CE1 4.07Å; V140-F154 HydrophobicContact CG1-CZ 3.79Å; V140-F154 HydrophobicContact CG2-CE1 4.32Å; F144-F154 HydrophobicContact CE1-CD1 4.44Å; F144-F154 HydrophobicContact CZ-CE1 4.26Å; G150-F154 VanDerWaalsContact O-CB 3.29Å; G150-F154 WeakPolarHBondContact O-CB 3.33Å; G150-F154 PolarHBondContact O-N 3.33Å; H151-F154 PolarHBondContact O-N 2.75Å; L152-F154 VanDerWaalsContact C-N 3.29Å; L152-F154 PolarHBondContact O-N 2.98Å; F154-K157 PolarHBondContact O-N 2.69Å; F154-A158 WeakPolarHBondContact O-CB 3.27Å; F154-A158 PolarHBondContact O-N 2.76Å; F154-I226 HydrophobicContact CE2-CG2 4.11Å; F154-G228 VanDerWaalsContact CE2-N 3.3Å; F154-V259 HydrophobicContact CD2-CG2 3.73Å; F154-V259 HydrophobicContact CE2-CG2 3.68Å
155L97.7Very high96.2Very high0 Ų035 Ų350%017%0.173CC..Hα-helixtrans-68-35.4-178.9-69.2174.9000112.2V140 F144 F147 H151 L152 K157 A158 K159 L165 V167 P200 V201V140-L155 HydrophobicContact CG2-CD2 3.69Å; F144-L155 HydrophobicContact CE1-CD1 4.07Å; F144-L155 HydrophobicContact CE1-CD2 3.94Å; F144-L155 HydrophobicContact CE1-CG 4.12Å; F144-L155 HydrophobicContact CZ-CD2 4.11Å; F147-L155 HydrophobicContact CE2-CD1 3.71Å; F147-L155 HydrophobicContact CZ-CD1 3.79Å; H151-L155 WeakPolarHBondContact O-CB 3.48Å; H151-L155 VanDerWaalsContact O-CG 3.24Å; H151-L155 WeakPolarHBondContact O-CG 3.32Å; H151-L155 PolarHBondContact O-N 3.06Å; L152-L155 PolarHBondContact O-N 3.31Å; L152-L155 VanDerWaalsContact O-N 3.12Å; L155-K157 VanDerWaalsContact C-N 3.34Å; L155-A158 PolarHBondContact O-N 3.47Å; L155-K159 VanDerWaalsContact O-CB 3.31Å; L155-K159 WeakPolarHBondContact O-CB 3.44Å; L155-K159 PolarHBondContact O-N 2.9Å; L155-L165 HydrophobicContact CB-CD2 4.29Å; L155-L165 HydrophobicContact CD2-CD2 3.99Å; L155-V167 HydrophobicContact CD2-CG2 3.86Å; L155-P200 HydrophobicContact CB-CB 4.21Å; L155-P200 HydrophobicContact CB-CG 4.48Å; L155-V201 HydrophobicContact CD1-CG2 3.86Å
156E97.1Very high96.5Very high93 Ų9335.1 Ų35.144%0.43517%0.173SC..Hα-helixtrans-60.6-44.3172-74172.2167.600110.8L152 K159 E160 P200L152-E156 HydrophobicContact CD1-CG 4.11Å; L152-E156 HydrophobicContact CG-CG 4.48Å; L152-E156 WeakPolarHBondContact O-CG 3.45Å; L152-E156 PolarHBondContact O-N 3.15Å; E156-K159 WeakPolarHBondContact O-CB 3.22Å; E156-K159 PolarHBondContact O-N 3.12Å; E156-E160 PolarHBondContact O-N 3.32Å; E156-P200 HydrophobicContact CG-CG 3.81Å
157K96.9Very high96.8Very high83 Ų8334.3 Ų34.336%0.36117%0.169SC..Hα-helixtrans-66-42.7174.5-71.3-75.1158.4-146.70112.9A153 F154 L155 K159 E160 F161 V259A153-K157 WeakPolarHBondContact O-CG 3.42Å; A153-K157 PolarHBondContact O-N 3.19Å; A153-K157 VanDerWaalsContact O-N 3.12Å; F154-K157 PolarHBondContact O-N 2.69Å; L155-K157 VanDerWaalsContact C-N 3.34Å; K157-K159 VanDerWaalsContact C-N 3.26Å; K157-K159 PolarHBondContact O-N 2.96Å; K157-E160 IonicContact NZ-OE1 3.95Å; K157-E160 PolarHBondContact NZ-OE1 3.22Å; K157-E160 IonicContact NZ-OE2 3.79Å; K157-E160 WeakPolarHBondContact O-CB 3.49Å; K157-E160 PolarHBondContact O-N 2.79Å; K157-F161 WeakPolarHBondContact O-CD2 3.33Å; K157-V259 HydrophobicContact CB-CB 4.45Å; K157-V259 HydrophobicContact CB-CG2 4.24Å
158A97.4Very high96.9Very high0 Ų033.3 Ų33.30%017%0.165CC..Hα-helixtrans-62.9-36.1176.900000111.7V140 F154 L155 E160 F161 L165 I226V140-A158 HydrophobicContact CG1-CB 3.8Å; F154-A158 WeakPolarHBondContact O-CB 3.27Å; F154-A158 PolarHBondContact O-N 2.76Å; L155-A158 PolarHBondContact O-N 3.47Å; A158-E160 PolarHBondContact O-N 3.28Å; A158-F161 WeakPolarHBondContact O-CB 3.29Å; A158-F161 PolarHBondContact O-N 2.84Å; A158-F161 VanDerWaalsContact O-N 3.12Å; A158-L165 HydrophobicContact CB-CD1 4.35Å; A158-I226 HydrophobicContact CB-CB 4.02Å; A158-I226 HydrophobicContact CB-CG1 4.13Å; A158-I226 HydrophobicContact CB-CG2 4.06Å
159K96.4Very high96.9Very high52 Ų5232.8 Ų32.823%0.22616%0.162CC..Hα-helixtrans-63.6-25.9177.2-172.461.8176.8-177.50113L155 E156 K157 F161 G162 D163 L165 P200 N202L155-K159 VanDerWaalsContact O-CB 3.31Å; L155-K159 WeakPolarHBondContact O-CB 3.44Å; L155-K159 PolarHBondContact O-N 2.9Å; E156-K159 WeakPolarHBondContact O-CB 3.22Å; E156-K159 PolarHBondContact O-N 3.12Å; K157-K159 VanDerWaalsContact C-N 3.26Å; K157-K159 PolarHBondContact O-N 2.96Å; K159-F161 PolarHBondContact O-N 3.23Å; K159-F161 VanDerWaalsContact O-N 3.12Å; K159-G162 PolarHBondContact O-N 3.31Å; K159-D163 PolarHBondContact NZ-O 3.48Å; K159-L165 HydrophobicContact CB-CD2 4.37Å; K159-L165 HydrophobicContact CD-CB 3.92Å; K159-P200 HydrophobicContact CB-CB 4.22Å; K159-P200 HydrophobicContact CG-CB 4.45Å; K159-N202 PolarHBondContact NZ-OD1 3.31Å
160E96.9Very high96.9Very high132 Ų13229.9 Ų29.962%0.61715%0.147SC*.THydrogen-bonded Turntrans-63.3-16.7175.2-63.2172.1-162.100112.8E156 K157 A158E156-E160 PolarHBondContact O-N 3.32Å; K157-E160 IonicContact NZ-OE1 3.95Å; K157-E160 PolarHBondContact NZ-OE1 3.22Å; K157-E160 IonicContact NZ-OE2 3.79Å; K157-E160 WeakPolarHBondContact O-CB 3.49Å; K157-E160 PolarHBondContact O-N 2.79Å; A158-E160 PolarHBondContact O-N 3.28Å
161F97.5Very high96.7Very high61 Ų6130.7 Ų30.727%0.26815%0.152SC..THydrogen-bonded Turntrans-86.5-5.5-178.6-72.6-104.3000114.3K136 V138 K157 A158 K159 A224 I226 H257 V259K136-F161 WeakPolarHBondContact CD-O 3.34Å; K136-F161 WeakPolarHBondContact CE-O 3.08Å; K136-F161 PolarHBondContact NZ-O 3.49Å; V138-F161 HydrophobicContact CG1-CB 4.49Å; V138-F161 HydrophobicContact CG2-CB 4.08Å; K157-F161 WeakPolarHBondContact O-CD2 3.33Å; A158-F161 WeakPolarHBondContact O-CB 3.29Å; A158-F161 PolarHBondContact O-N 2.84Å; A158-F161 VanDerWaalsContact O-N 3.12Å; K159-F161 PolarHBondContact O-N 3.23Å; K159-F161 VanDerWaalsContact O-N 3.12Å; F161-A224 HydrophobicContact CB-CB 4.45Å; F161-I226 HydrophobicContact CB-CD1 3.8Å; F161-I226 HydrophobicContact CB-CG1 4.32Å; F161-I226 HydrophobicContact CD1-CD1 3.6Å; F161-I226 HydrophobicContact CD2-CD1 3.91Å; F161-I226 HydrophobicContact CD2-CG1 4.39Å; F161-I226 HydrophobicContact CE1-CD1 4.13Å; F161-I226 HydrophobicContact CE2-CD1 4.43Å; F161-I226 HydrophobicContact CG-CD1 3.47Å; F161-I226 VanDerWaalsContact CG-CD1 3.47Å; F161-I226 HydrophobicContact CG-CG1 4.25Å; F161-H257 HydrophobicContact CD1-CB 4.4Å; F161-H257 AromaticContact CD1-CD2 4Å; F161-H257 HydrophobicContact CE1-CB 3.86Å; F161-H257 AromaticContact CE1-CG 3.78Å; F161-H257 HydrophobicContact CZ-CB 4.39Å; F161-V259 HydrophobicContact CD2-CG1 4.45Å; F161-V259 HydrophobicContact CE2-CG1 3.45Å; F161-V259 VanDerWaalsContact CE2-CG1 3.45Å; F161-V259 HydrophobicContact CZ-CG1 3.67Å
162G96.6Very high96.3Very high13 Ų1330.2 Ų30.213%0.13415%0.151CC..  trans176.2179.5177.600000115K136 K159K136-G162 CarbonylContact O-C 3.49Å; K136-G162 WeakPolarHBondContact O-CA 3.15Å; K159-G162 PolarHBondContact O-N 3.31Å
163D96.9Very high95.7Very high93 Ų9335.8 Ų35.850%0.49718%0.177SC..SBendtrans-91.4-16.4-167.2-47.5-76.7000113.4D135 K136 K159D135-D163 HydrophobicContact CB-CB 3.89Å; K136-D163 PolarHBondContact N-OD2 3.21Å; K136-D163 PolarHBondContact O-N 2.83Å; K159-D163 PolarHBondContact NZ-O 3.48Å
164Y97.9Very high95.3Very high12 Ų1236 Ų365%0.04718%0.176CC..EExtended strand (participates in β ladder)trans-135.4115.1-177-162.8-85.7000111.1R129 P131 K136 V137 V138 I166 N202 E203R129-Y164 VanDerWaalsContact O-CE2 3.29Å; R129-Y164 WeakPolarHBondContact O-CE2 3.34Å; R129-Y164 PolarHBondContact O-OH 3.09Å; P131-Y164 HydrophobicContact CB-CD1 4.12Å; P131-Y164 HydrophobicContact CB-CD2 3.73Å; P131-Y164 HydrophobicContact CB-CE1 4.47Å; P131-Y164 HydrophobicContact CB-CE2 4.12Å; P131-Y164 HydrophobicContact CB-CG 3.72Å; P131-Y164 HydrophobicContact CG-CD1 4.47Å; P131-Y164 HydrophobicContact CG-CE1 4.47Å; K136-Y164 PolarHBondContact O-N 3.07Å; V137-Y164 WeakPolarHBondContact CA-O 3.44Å; V137-Y164 HydrophobicContact CG1-CD1 4.47Å; V138-Y164 PolarHBondContact N-O 3.35Å; Y164-I166 HydrophobicContact CD1-CD1 4.28Å; Y164-I166 HydrophobicContact CD1-CG1 3.76Å; Y164-I166 HydrophobicContact CE1-CD1 4.19Å; Y164-I166 HydrophobicContact CE1-CG1 3.75Å; Y164-N202 HydrophobicContact CD1-CB 4.08Å; Y164-N202 HydrophobicContact CD2-CB 3.81Å; Y164-N202 HydrophobicContact CE1-CB 3.86Å; Y164-N202 HydrophobicContact CE2-CB 3.57Å; Y164-N202 HydrophobicContact CG-CB 4.06Å; Y164-E203 HydrophobicContact CE1-CB 3.74Å
165L98.1Very high94.8Very high0 Ų035 Ų350%017%0.171CC..EExtended strand (participates in β ladder)trans-105.3119.2-175.7179.961000111V138 V140 L155 A158 K159 V167 P200 N202 E203V138-L165 HydrophobicContact CB-CD1 3.95Å; V138-L165 HydrophobicContact CG1-CD1 3.83Å; V140-L165 HydrophobicContact CG1-CD1 4Å; V140-L165 HydrophobicContact CG2-CD1 4.15Å; L155-L165 HydrophobicContact CB-CD2 4.29Å; L155-L165 HydrophobicContact CD2-CD2 3.99Å; A158-L165 HydrophobicContact CB-CD1 4.35Å; K159-L165 HydrophobicContact CB-CD2 4.37Å; K159-L165 HydrophobicContact CD-CB 3.92Å; L165-V167 HydrophobicContact CG-CG2 4.29Å; L165-P200 WeakPolarHBondContact CB-O 3.26Å; L165-P200 HydrophobicContact CD2-CB 4.17Å; L165-P200 WeakPolarHBondContact CD2-O 3.35Å; L165-N202 PolarHBondContact N-OD1 3.33Å; L165-N202 PolarHBondContact O-N 3.27Å; L165-E203 PolarHBondContact O-N 3.42Å
166I98.1Very high94.1Very high2 Ų236.6 Ų36.61%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-103.5126.7174.7-52.6-175000108.9V137 V138 Y139 V140 Y164 E203 V205 F220V137-I166 HydrophobicContact CG1-CD1 3.52Å; V137-I166 HydrophobicContact CG1-CG1 3.92Å; V138-I166 PolarHBondContact O-N 3.04Å; Y139-I166 WeakPolarHBondContact CA-O 3.33Å; Y139-I166 HydrophobicContact CD2-CB 3.98Å; Y139-I166 HydrophobicContact CD2-CG2 3.82Å; Y139-I166 HydrophobicContact CE2-CG2 4.08Å; V140-I166 PolarHBondContact N-O 3.26Å; Y164-I166 HydrophobicContact CD1-CD1 4.28Å; Y164-I166 HydrophobicContact CD1-CG1 3.76Å; Y164-I166 HydrophobicContact CE1-CD1 4.19Å; Y164-I166 HydrophobicContact CE1-CG1 3.75Å; I166-E203 WeakPolarHBondContact CA-O 3.48Å; I166-E203 HydrophobicContact CG1-CB 4.21Å; I166-E203 HydrophobicContact CG2-CB 4.44Å; I166-V205 HydrophobicContact CG2-CG2 3.69Å; I166-F220 HydrophobicContact CD1-CB 3.68Å; I166-F220 HydrophobicContact CD1-CD1 3.76Å; I166-F220 HydrophobicContact CD1-CG 3.79Å
167V98.2Very high93.4Very high0 Ų037.4 Ų37.40%018%0.184CC..EExtended strand (participates in β ladder)trans-109.9111.7178.4-174.80000110.3V140 F144 L155 L165 I169 V195 V201 E203 V204 V205V140-V167 HydrophobicContact CG2-CB 4.1Å; V140-V167 HydrophobicContact CG2-CG1 3.99Å; V140-V167 HydrophobicContact CG2-CG2 3.72Å; V140-V167 CarbonylContact O-C 3.53Å; F144-V167 HydrophobicContact CD2-CG1 3.8Å; F144-V167 HydrophobicContact CE1-CG1 4.2Å; F144-V167 HydrophobicContact CE2-CG1 3.3Å; F144-V167 HydrophobicContact CG-CG1 4.42Å; F144-V167 HydrophobicContact CZ-CG1 3.53Å; L155-V167 HydrophobicContact CD2-CG2 3.86Å; L165-V167 HydrophobicContact CG-CG2 4.29Å; V167-I169 HydrophobicContact CG1-CD1 3.73Å; V167-V195 HydrophobicContact CB-CG1 3.89Å; V167-V195 HydrophobicContact CG1-CG1 3.81Å; V167-V195 HydrophobicContact CG2-CG1 4.05Å; V167-V201 HydrophobicContact CG2-CB 4.49Å; V167-V201 HydrophobicContact CG2-CG1 3.95Å; V167-V201 HydrophobicContact CG2-CG2 3.9Å; V167-E203 PolarHBondContact N-O 3.17Å; V167-V204 HydrophobicContact CB-CG2 4.37Å; V167-V204 CarbonylContact O-C 3.23Å; V167-V204 VanDerWaalsContact O-CA 3.28Å; V167-V204 WeakPolarHBondContact O-CA 3.48Å; V167-V205 PolarHBondContact O-N 3.1Å
168G97.8Very high92.4Very high0 Ų035.2 Ų35.20%017%0.174CC..EExtended strand (participates in β ladder)trans-74.7120.8169.700000112V140 T141 G142V140-G168 PolarHBondContact O-N 2.87Å; T141-G168 WeakPolarHBondContact CA-O 3.46Å; T141-G168 PolarHBondContact OG1-O 3.21Å; G142-G168 PolarHBondContact N-O 2.79Å
169I96.9Very high91.5Very high0 Ų037.9 Ų37.90%019%0.185CC..EExtended strand (participates in β ladder)trans-104.1110.1178.9-57.3-60.5000108.4F144 V167 I188 R191 V192 V195 V204 V205 G207 A208F144-I169 HydrophobicContact CB-CD1 4.03Å; F144-I169 HydrophobicContact CD2-CD1 3.55Å; F144-I169 HydrophobicContact CE2-CD1 4.32Å; F144-I169 HydrophobicContact CG-CD1 4.02Å; V167-I169 HydrophobicContact CG1-CD1 3.73Å; I169-I188 HydrophobicContact CG2-CG1 4.09Å; I169-R191 HydrophobicContact CG2-CB 4.22Å; I169-V192 HydrophobicContact CB-CG2 4.46Å; I169-V192 HydrophobicContact CG1-CG2 4.35Å; I169-V192 HydrophobicContact CG2-CG2 4.38Å; I169-V195 HydrophobicContact CD1-CB 4.31Å; I169-V195 HydrophobicContact CD1-CG1 4.33Å; I169-V195 HydrophobicContact CD1-CG2 3.79Å; I169-V204 HydrophobicContact CB-CG1 4.36Å; I169-V204 HydrophobicContact CG1-CG1 3.45Å; I169-V204 VanDerWaalsContact CG1-CG1 3.45Å; I169-V205 PolarHBondContact N-O 2.72Å; I169-G207 CarbonylContact O-C 3.46Å; I169-G207 WeakPolarHBondContact O-CA 3.28Å; I169-G207 PolarHBondContact O-N 2.71Å; I169-A208 PolarHBondContact O-N 3.19Å
170L94.1Very high90.5Very high8 Ų836.1 Ų36.14%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-60.6147.9179.1-62.3178.6000111G142 T174 V175 Y178 R191 A208 P209 Y210G142-L170 WeakPolarHBondContact O-CG 3.44Å; G142-L170 PolarHBondContact O-N 3.31Å; L170-T174 HydrophobicContact CB-CG2 4.38Å; L170-T174 HydrophobicContact CD1-CG2 4.36Å; L170-T174 HydrophobicContact CD2-CG2 4.42Å; L170-V175 HydrophobicContact CB-CG2 3.7Å; L170-V175 HydrophobicContact CD1-CG2 4.45Å; L170-Y178 HydrophobicContact CD1-CE1 3.82Å; L170-R191 PolarHBondContact O-NH1 2.78Å; L170-R191 PolarHBondContact O-NH2 3.27Å; L170-A208 WeakPolarHBondContact CD2-O 3.43Å; L170-P209 WeakPolarHBondContact CD2-O 3.42Å; L170-Y210 HydrophobicContact CD1-CD2 4.34Å
171S90.3Very high89.5Confident24 Ų2433.9 Ų33.917%0.16818%0.181CC..  trans-62.8155.7175.879.40000112.2Q173 T174 V175S171-Q173 PolarHBondContact O-N 3.19Å; S171-T174 PolarHBondContact O-N 3.44Å; S171-T174 WeakPolarHBondContact OG-CB 3.21Å; S171-T174 PolarHBondContact OG-N 3.35Å; S171-T174 PolarHBondContact OG-OG1 2.85Å; S171-V175 WeakPolarHBondContact O-CG2 3.32Å; S171-V175 PolarHBondContact O-N 3.22Å
172D87.4Confident88.4Confident17 Ų1731.2 Ų31.29%0.09117%0.17CC..Hα-helixtrans-60.1-38178.9-65.7-24.7000111.4V175 N176 P184 I188 R191D172-V175 PolarHBondContact O-N 3.21Å; D172-N176 WeakPolarHBondContact O-CB 3.33Å; D172-N176 PolarHBondContact O-N 2.94Å; D172-P184 HydrophobicContact CB-CG 4.05Å; D172-P184 WeakPolarHBondContact O-CD 3.38Å; D172-P184 VanDerWaalsContact OD1-CG 3.28Å; D172-P184 WeakPolarHBondContact OD1-CG 3.49Å; D172-I188 PolarHBondContact OD1-N 2.89Å; D172-I188 PolarHBondContact OD2-N 2.93Å; D172-I188 VanDerWaalsContact OD2-N 3.12Å; D172-R191 IonicContact OD1-CZ 3.48Å; D172-R191 IonicContact OD1-NE 3.28Å; D172-R191 IonicContact OD1-NH2 2.77Å; D172-R191 PolarHBondContact OD1-NH2 2.81Å
173Q84.7Confident87.6Confident122 Ų12231.1 Ų31.157%0.5717%0.165SC*.Hα-helixtrans-64.8-47177.1-62.879.16.400111.3S171 V175 N176 Q177S171-Q173 PolarHBondContact O-N 3.19Å; Q173-V175 VanDerWaalsContact C-N 3.33Å; Q173-V175 PolarHBondContact O-N 2.95Å; Q173-N176 PolarHBondContact O-N 3.16Å; Q173-Q177 VanDerWaalsContact O-CG 3.25Å; Q173-Q177 WeakPolarHBondContact O-CG 3.36Å; Q173-Q177 PolarHBondContact O-N 3.25Å
174T86.8Confident87.1Confident22 Ų2226.7 Ų26.714%0.13514%0.142CC..Hα-helixtrans-60.1-45.2176.9-57.80000110.6L170 S171 N176 Q177 Y178 Y210L170-T174 HydrophobicContact CB-CG2 4.38Å; L170-T174 HydrophobicContact CD1-CG2 4.36Å; L170-T174 HydrophobicContact CD2-CG2 4.42Å; S171-T174 PolarHBondContact O-N 3.44Å; S171-T174 WeakPolarHBondContact OG-CB 3.21Å; S171-T174 PolarHBondContact OG-N 3.35Å; S171-T174 PolarHBondContact OG-OG1 2.85Å; T174-N176 PolarHBondContact O-N 3.48Å; T174-Q177 WeakPolarHBondContact O-CB 3.34Å; T174-Q177 PolarHBondContact O-N 3.21Å; T174-Y178 WeakPolarHBondContact O-CD1 3.48Å; T174-Y178 PolarHBondContact O-N 2.78Å; T174-Y210 HydrophobicContact CG2-CD2 3.98Å; T174-Y210 HydrophobicContact CG2-CG 4.29Å
175V86.5Confident86.6Confident0 Ų026.1 Ų26.10%014%0.139CC..Hα-helixtrans-63.4-42.9178.9177.80000111.9L170 S171 D172 Q173 Q177 Y178 K179 H183 P184L170-V175 HydrophobicContact CB-CG2 3.7Å; L170-V175 HydrophobicContact CD1-CG2 4.45Å; S171-V175 WeakPolarHBondContact O-CG2 3.32Å; S171-V175 PolarHBondContact O-N 3.22Å; D172-V175 PolarHBondContact O-N 3.21Å; Q173-V175 VanDerWaalsContact C-N 3.33Å; Q173-V175 PolarHBondContact O-N 2.95Å; V175-Q177 VanDerWaalsContact C-N 3.31Å; V175-Q177 PolarHBondContact O-N 3.19Å; V175-Y178 VanDerWaalsContact CA-CE1 3.44Å; V175-Y178 HydrophobicContact CB-CE1 4.07Å; V175-Y178 HydrophobicContact CG1-CE1 4.18Å; V175-Y178 HydrophobicContact CG2-CE1 3.97Å; V175-Y178 PolarHBondContact O-N 3.41Å; V175-K179 HydrophobicContact CG1-CD 4.24Å; V175-K179 HydrophobicContact CG1-CG 4.37Å; V175-K179 WeakPolarHBondContact O-CB 3.36Å; V175-K179 PolarHBondContact O-N 3.14Å; V175-H183 HydrophobicContact CG1-CB 4.33Å; V175-P184 HydrophobicContact CB-CB 4.47Å; V175-P184 HydrophobicContact CB-CG 4.25Å; V175-P184 HydrophobicContact CG1-CB 3.95Å; V175-P184 HydrophobicContact CG1-CG 4.23Å
176N83.6Confident86.1Confident35 Ų3526.8 Ų26.819%0.18714%0.143CC..Hα-helixtrans-64.9-35.5176-164.1-104.1000112.3K80 D172 Q173 T174 Y178 G180 S181 H183K80-N176 PolarHBondContact NZ-OD1 3.17Å; D172-N176 WeakPolarHBondContact O-CB 3.33Å; D172-N176 PolarHBondContact O-N 2.94Å; Q173-N176 PolarHBondContact O-N 3.16Å; T174-N176 PolarHBondContact O-N 3.48Å; N176-Y178 PolarHBondContact O-N 3.34Å; N176-G180 PolarHBondContact ND2-O 3.11Å; N176-G180 WeakPolarHBondContact O-CA 3.45Å; N176-G180 PolarHBondContact O-N 3.18Å; N176-S181 PolarHBondContact ND2-O 3.34Å; N176-H183 WeakPolarHBondContact CA-O 3.39Å; N176-H183 VanDerWaalsContact CB-O 3.31Å; N176-H183 WeakPolarHBondContact CB-O 3.46Å; N176-H183 PolarHBondContact ND2-O 3.08Å
177Q81.8Confident85.7Confident110 Ų11027.5 Ų27.551%0.51415%0.148SC..Hα-helixtrans-61.2-44.9179-77.4168.7-5.700112.1Q173 T174 V175 N238 L241Q173-Q177 VanDerWaalsContact O-CG 3.25Å; Q173-Q177 WeakPolarHBondContact O-CG 3.36Å; Q173-Q177 PolarHBondContact O-N 3.25Å; T174-Q177 WeakPolarHBondContact O-CB 3.34Å; T174-Q177 PolarHBondContact O-N 3.21Å; V175-Q177 VanDerWaalsContact C-N 3.31Å; V175-Q177 PolarHBondContact O-N 3.19Å; Q177-N238 WeakPolarHBondContact O-CB 3.16Å; Q177-N238 PolarHBondContact O-ND2 3.09Å; Q177-L241 HydrophobicContact CB-CD1 4.19Å
178Y77.4Confident85.3Confident36 Ų3628.7 Ų28.714%0.14115%0.154CC..Hα-helixtrans-87.6-35.8-17780.7-101.1000114.2S143 L170 T174 V175 N176 Y210 N238S143-Y178 WeakPolarHBondContact CB-OH 3.35Å; S143-Y178 PolarHBondContact OG-OH 3.09Å; S143-Y178 VanDerWaalsContact OG-OH 3.08Å; L170-Y178 HydrophobicContact CD1-CE1 3.82Å; T174-Y178 WeakPolarHBondContact O-CD1 3.48Å; T174-Y178 PolarHBondContact O-N 2.78Å; V175-Y178 VanDerWaalsContact CA-CE1 3.44Å; V175-Y178 HydrophobicContact CB-CE1 4.07Å; V175-Y178 HydrophobicContact CG1-CE1 4.18Å; V175-Y178 HydrophobicContact CG2-CE1 3.97Å; V175-Y178 PolarHBondContact O-N 3.41Å; N176-Y178 PolarHBondContact O-N 3.34Å; Y178-Y210 HydrophobicContact CD1-CE2 4.38Å; Y178-N238 PolarHBondContact O-N 2.66Å
179K78.1Confident85Confident56 Ų5632.1 Ų32.124%0.24317%0.17CC..Hα-helixtrans-88.5-25.9178.2-65.5-160170.6-173.20114V175 H183V175-K179 HydrophobicContact CG1-CD 4.24Å; V175-K179 HydrophobicContact CG1-CG 4.37Å; V175-K179 WeakPolarHBondContact O-CB 3.36Å; V175-K179 PolarHBondContact O-N 3.14Å; K179-H183 HydrophobicContact CB-CB 3.85Å; K179-H183 HydrophobicContact CD-CB 4.15Å
180G75.3Confident84.7Confident15 Ų1532.7 Ų32.716%0.15517%0.173CC..  trans67.6-159-174.100000113.5N176 H183N176-G180 PolarHBondContact ND2-O 3.11Å; N176-G180 WeakPolarHBondContact O-CA 3.45Å; N176-G180 PolarHBondContact O-N 3.18Å; G180-H183 PolarHBondContact O-N 2.93Å
181S75Confident84.8Confident85 Ų8532.3 Ų32.359%0.59417%0.171SC*.THydrogen-bonded Turntrans51.5-142.9176-58.90000112.5K80 N176 H183K80-S181 WeakPolarHBondContact CE-O 3.29Å; K80-S181 PolarHBondContact NZ-O 3.09Å; K80-S181 VanDerWaalsContact NZ-O 3.17Å; N176-S181 PolarHBondContact ND2-O 3.34Å; S181-H183 VanDerWaalsContact C-N 3.33Å
182N75.1Confident85Confident6 Ų631.2 Ų31.23%0.03216%0.163CC..THydrogen-bonded Turntrans-88.510.5178.762.8-35.2000113.9R74 P184 I185R74-N182 PolarHBondContact O-ND2 3.06Å; R74-N182 VanDerWaalsContact O-ND2 3.12Å; N182-P184 CarbonylContact O-C 3.58Å; N182-I185 WeakPolarHBondContact ND2-CD1 3.43Å
183H80.4Confident85.4Confident10 Ų1031.2 Ų31.25%0.04616%0.163CC..  trans-74.2148.9178.9-72-75.8000112.7H83 D145 V175 N176 K179 G180 S181 D268H83-H183 PolarHBondContact CE1-O 2.88Å; D145-H183 IonicContact OD2-ND1 2.96Å; D145-H183 PolarHBondContact OD2-ND1 3.25Å; V175-H183 HydrophobicContact CG1-CB 4.33Å; N176-H183 WeakPolarHBondContact CA-O 3.39Å; N176-H183 VanDerWaalsContact CB-O 3.31Å; N176-H183 WeakPolarHBondContact CB-O 3.46Å; N176-H183 PolarHBondContact ND2-O 3.08Å; K179-H183 HydrophobicContact CB-CB 3.85Å; K179-H183 HydrophobicContact CD-CB 4.15Å; G180-H183 PolarHBondContact O-N 2.93Å; S181-H183 VanDerWaalsContact C-N 3.33Å; H183-D268 IonicContact CE1-OD1 2.89Å; H183-D268 PolarHBondContact CE1-OD1 2.91Å; H183-D268 IonicContact NE2-OD1 3.87Å; H183-D268 PolarHBondContact NE2-OD1 3.44Å
184P86.3Confident85.9Confident0 Ų026.8 Ų26.80%015%0.145CC..  cis-74.5151.4-930.6-32.8000111.7H82 H83 D145 D172 V175 N182 M186H82-P184 PolarHBondContact NE2-O 2.88Å; H83-P184 PolarHBondContact CE1-O 3.23Å; H83-P184 WeakPolarHBondContact NE2-CD 3.37Å; H83-P184 PolarHBondContact NE2-O 3.5Å; D145-P184 HydrophobicContact CB-CB 4.13Å; D145-P184 WeakPolarHBondContact OD2-CA 3.38Å; D172-P184 HydrophobicContact CB-CG 4.05Å; D172-P184 WeakPolarHBondContact O-CD 3.38Å; D172-P184 VanDerWaalsContact OD1-CG 3.28Å; D172-P184 WeakPolarHBondContact OD1-CG 3.49Å; V175-P184 HydrophobicContact CB-CB 4.47Å; V175-P184 HydrophobicContact CB-CG 4.25Å; V175-P184 HydrophobicContact CG1-CB 3.95Å; V175-P184 HydrophobicContact CG1-CG 4.23Å; N182-P184 CarbonylContact O-C 3.58Å; P184-M186 VanDerWaalsContact C-N 3.34Å; P184-M186 VanDerWaalsContact CB-O 3.32Å; P184-M186 WeakPolarHBondContact CB-O 3.49Å; P184-M186 WeakPolarHBondContact CG-O 3.49Å
185I85.8Confident86.4Confident0 Ų025.7 Ų25.70%014%0.139CC..SBendtrans-69.4-37.7175.4-55.3-56.8000110.7R74 M75 H82 D145 L146 N182 I271R74-I185 HydrophobicContact CB-CG2 3.86Å; R74-I185 WeakPolarHBondContact CD-O 3.36Å; R74-I185 PolarHBondContact NH1-O 3Å; M75-I185 HydrophobicContact CE-CG2 4.46Å; M75-I185 HydrophobicContact CG-CD1 4.34Å; M75-I185 HydrophobicContact CG-CG1 4.33Å; M75-I185 HydrophobicContact CG-CG2 4.03Å; H82-I185 PolarHBondContact CD2-O 2.78Å; H82-I185 VanDerWaalsContact CD2-O 3.27Å; H82-I185 PolarHBondContact NE2-O 2.76Å; D145-I185 VanDerWaalsContact CG-N 3.26Å; D145-I185 PolarHBondContact OD1-N 3.06Å; D145-I185 PolarHBondContact OD2-N 2.8Å; L146-I185 HydrophobicContact CD1-CB 4.31Å; L146-I185 HydrophobicContact CD1-CG1 4.12Å; L146-I185 HydrophobicContact CD1-CG2 4.49Å; L146-I185 HydrophobicContact CD2-CB 4.16Å; L146-I185 HydrophobicContact CD2-CG2 3.97Å; L146-I185 HydrophobicContact CG-CB 4.08Å; L146-I185 HydrophobicContact CG-CG1 4.36Å; L146-I185 HydrophobicContact CG-CG2 4.38Å; N182-I185 WeakPolarHBondContact ND2-CD1 3.43Å; I185-I271 HydrophobicContact CD1-CD1 4.2Å; I185-I271 HydrophobicContact CG1-CD1 4.1Å
186M88.5Confident86.9Confident14 Ų1426 Ų267%0.06914%0.14CC..SBendtrans-99.7135.1174.4-64.1178.374.600110.3L71 D145 L146 P184 E190 R191 S194L71-M186 HydrophobicContact CD2-CG 3.93Å; D145-M186 PolarHBondContact OD1-N 3.12Å; L146-M186 HydrophobicContact CD2-CG 4Å; L146-M186 HydrophobicContact CD2-SD 3.93Å; P184-M186 VanDerWaalsContact C-N 3.34Å; P184-M186 VanDerWaalsContact CB-O 3.32Å; P184-M186 WeakPolarHBondContact CB-O 3.49Å; P184-M186 WeakPolarHBondContact CG-O 3.49Å; M186-E190 HydrophobicContact CB-CB 4.02Å; M186-E190 HydrophobicContact CE-CB 3.68Å; M186-R191 HydrophobicContact CB-CG 3.64Å; M186-R191 VanDerWaalsContact O-CD 3.31Å; M186-R191 WeakPolarHBondContact O-CD 3.19Å; M186-R191 PolarHBondContact O-NE 3.4Å; M186-R191 VanDerWaalsContact O-NE 3.09Å; M186-S194 WeakPolarHBondContact CE-OG 3.41Å
187S89.4Confident87.5Confident18 Ų1824.9 Ų24.913%0.12614%0.136CC..  trans-60.7162.3171.863.80000111.5H189 E190 R191S187-H189 PolarHBondContact O-N 3.32Å; S187-E190 WeakPolarHBondContact CB-OE2 3.31Å; S187-E190 PolarHBondContact N-OE2 3.05Å; S187-E190 PolarHBondContact O-N 3.49Å; S187-E190 VanDerWaalsContact O-N 3.15Å; S187-E190 WeakPolarHBondContact OG-CG 3.39Å; S187-E190 PolarHBondContact OG-N 3.47Å; S187-E190 PolarHBondContact OG-OE2 3.3Å; S187-R191 WeakPolarHBondContact O-CG 3.36Å; S187-R191 PolarHBondContact O-N 3.23Å
188I90.2Very high88.2Confident25 Ų2520.7 Ų20.713%0.12812%0.116CC..Hα-helixtrans-52.1-41.5176.8-174.7163.3000112.8I169 D172 R191 V192I169-I188 HydrophobicContact CG2-CG1 4.09Å; D172-I188 PolarHBondContact OD1-N 2.89Å; D172-I188 PolarHBondContact OD2-N 2.93Å; D172-I188 VanDerWaalsContact OD2-N 3.12Å; I188-R191 VanDerWaalsContact CA-NH2 3.32Å; I188-R191 PolarHBondContact O-N 3.27Å; I188-V192 HydrophobicContact CG1-CG2 4.33Å; I188-V192 WeakPolarHBondContact O-CB 3.37Å; I188-V192 WeakPolarHBondContact O-CG2 3.17Å; I188-V192 PolarHBondContact O-N 3.33Å
189H90.8Very high89.1Confident72 Ų7223.4 Ų23.433%0.33313%0.128SC..Hα-helixtrans-68.7-39.1-178.2-58.1-64.5000112.5F115 P117 S187 L193F115-H189 HydrophobicContact CD1-CB 4.07Å; F115-H189 HydrophobicContact CE1-CB 3.9Å; P117-H189 HydrophobicContact CB-CB 4.05Å; P117-H189 HydrophobicContact CG-CB 4.11Å; S187-H189 PolarHBondContact O-N 3.32Å; H189-L193 PolarHBondContact O-N 2.8Å
190E92.2Very high90Very high11 Ų1121.3 Ų21.35%0.05112%0.12CC..Hα-helixtrans-67-39.4174.8-68.2166.9125.800111.3R74 F115 M186 S187 S194R74-E190 IonicContact CZ-OE1 3.27Å; R74-E190 IonicContact CZ-OE2 3.23Å; R74-E190 VanDerWaalsContact NH1-CD 3.35Å; R74-E190 IonicContact NH1-OE1 2.71Å; R74-E190 PolarHBondContact NH1-OE1 3.45Å; R74-E190 IonicContact NH1-OE2 3.19Å; R74-E190 PolarHBondContact NH1-OE2 3.46Å; R74-E190 IonicContact NH2-OE1 3.31Å; R74-E190 PolarHBondContact NH2-OE1 3.42Å; R74-E190 IonicContact NH2-OE2 3.88Å; F115-E190 HydrophobicContact CB-CG 3.88Å; F115-E190 HydrophobicContact CD1-CG 3.83Å; F115-E190 HydrophobicContact CG-CG 4.01Å; M186-E190 HydrophobicContact CB-CB 4.02Å; M186-E190 HydrophobicContact CE-CB 3.68Å; S187-E190 WeakPolarHBondContact CB-OE2 3.31Å; S187-E190 PolarHBondContact N-OE2 3.05Å; S187-E190 PolarHBondContact O-N 3.49Å; S187-E190 VanDerWaalsContact O-N 3.15Å; S187-E190 WeakPolarHBondContact OG-CG 3.39Å; S187-E190 PolarHBondContact OG-N 3.47Å; S187-E190 PolarHBondContact OG-OE2 3.3Å; E190-S194 WeakPolarHBondContact O-CB 3.34Å; E190-S194 PolarHBondContact O-N 3.32Å; E190-S194 PolarHBondContact O-OG 3.19Å
191R94.8Very high91Very high0 Ų020.7 Ų20.70%011%0.114CC..Hα-helixtrans-67.1-42.1177.9-68.3-178.4-65113.8-0.8112.1S143 I169 L170 D172 M186 S187 I188 L193 S194 V195S143-R191 WeakPolarHBondContact O-CD 3.14Å; S143-R191 PolarHBondContact O-NH1 3.36Å; I169-R191 HydrophobicContact CG2-CB 4.22Å; L170-R191 PolarHBondContact O-NH1 2.78Å; L170-R191 PolarHBondContact O-NH2 3.27Å; D172-R191 IonicContact OD1-CZ 3.48Å; D172-R191 IonicContact OD1-NE 3.28Å; D172-R191 IonicContact OD1-NH2 2.77Å; D172-R191 PolarHBondContact OD1-NH2 2.81Å; M186-R191 HydrophobicContact CB-CG 3.64Å; M186-R191 VanDerWaalsContact O-CD 3.31Å; M186-R191 WeakPolarHBondContact O-CD 3.19Å; M186-R191 PolarHBondContact O-NE 3.4Å; M186-R191 VanDerWaalsContact O-NE 3.09Å; S187-R191 WeakPolarHBondContact O-CG 3.36Å; S187-R191 PolarHBondContact O-N 3.23Å; I188-R191 VanDerWaalsContact CA-NH2 3.32Å; I188-R191 PolarHBondContact O-N 3.27Å; R191-L193 PolarHBondContact O-N 2.7Å; R191-S194 WeakPolarHBondContact O-CB 3.42Å; R191-S194 PolarHBondContact O-N 2.96Å; R191-V195 WeakPolarHBondContact O-CG2 3.32Å; R191-V195 PolarHBondContact O-N 3.22Å
192V95.4Very high92.1Very high1 Ų117.8 Ų17.81%0.0069%0.091CC..Hα-helixtrans-54.3-52.3174.1162.20000111.1I169 I188 S194 V195 L196 V204 F206I169-V192 HydrophobicContact CB-CG2 4.46Å; I169-V192 HydrophobicContact CG1-CG2 4.35Å; I169-V192 HydrophobicContact CG2-CG2 4.38Å; I188-V192 HydrophobicContact CG1-CG2 4.33Å; I188-V192 WeakPolarHBondContact O-CB 3.37Å; I188-V192 WeakPolarHBondContact O-CG2 3.17Å; I188-V192 PolarHBondContact O-N 3.33Å; V192-S194 VanDerWaalsContact C-N 3.31Å; V192-S194 PolarHBondContact O-N 3.38Å; V192-V195 PolarHBondContact O-N 3.3Å; V192-L196 HydrophobicContact CG1-CD1 3.81Å; V192-L196 HydrophobicContact CG1-CG 4.43Å; V192-L196 WeakPolarHBondContact O-CB 3.47Å; V192-L196 WeakPolarHBondContact O-CG 3.5Å; V192-L196 PolarHBondContact O-N 2.99Å; V192-V204 HydrophobicContact CB-CG1 4.47Å; V192-V204 HydrophobicContact CG1-CG1 4.27Å; V192-V204 HydrophobicContact CG2-CG1 3.93Å; V192-F206 HydrophobicContact CB-CZ 4.37Å; V192-F206 HydrophobicContact CG1-CD1 4.29Å; V192-F206 HydrophobicContact CG1-CE1 3.54Å; V192-F206 HydrophobicContact CG1-CE2 3.86Å; V192-F206 HydrophobicContact CG1-CZ 3.31Å; V192-F206 HydrophobicContact CG2-CD1 4Å; V192-F206 HydrophobicContact CG2-CD2 4.11Å; V192-F206 HydrophobicContact CG2-CE1 4.1Å; V192-F206 HydrophobicContact CG2-CE2 4.21Å; V192-F206 HydrophobicContact CG2-CG 4.01Å; V192-F206 HydrophobicContact CG2-CZ 4.23Å
193L94.9Very high93.1Very high17 Ų1720.7 Ų20.79%0.08911%0.105CC..Hα-helixtrans-64.7-37.9179.5-65.6-175.9000112.2F115 T121 F125 H189 R191 V195 L196 A197F115-L193 HydrophobicContact CE1-CD1 3.83Å; F115-L193 HydrophobicContact CE2-CD1 3.83Å; F115-L193 HydrophobicContact CZ-CD1 3.24Å; F115-L193 HydrophobicContact CZ-CG 4.38Å; T121-L193 HydrophobicContact CG2-CD1 3.66Å; T121-L193 HydrophobicContact CG2-CD2 4.29Å; F125-L193 HydrophobicContact CB-CD2 3.82Å; F125-L193 HydrophobicContact CD1-CB 4.09Å; F125-L193 HydrophobicContact CD1-CD2 4.15Å; F125-L193 WeakPolarHBondContact CD1-O 3.17Å; F125-L193 HydrophobicContact CD2-CD2 4Å; F125-L193 HydrophobicContact CE1-CB 4.21Å; F125-L193 HydrophobicContact CG-CD2 3.73Å; H189-L193 PolarHBondContact O-N 2.8Å; R191-L193 PolarHBondContact O-N 2.7Å; L193-V195 PolarHBondContact O-N 3.03Å; L193-L196 PolarHBondContact O-N 3.31Å; L193-A197 PolarHBondContact O-N 2.82Å
194S95.3Very high93.9Very high29 Ų2920.6 Ų20.620%0.20311%0.105CC..Hα-helixtrans-60.6-37.4177.2-58.70000111.9M186 E190 R191 V192 Y198M186-S194 WeakPolarHBondContact CE-OG 3.41Å; E190-S194 WeakPolarHBondContact O-CB 3.34Å; E190-S194 PolarHBondContact O-N 3.32Å; E190-S194 PolarHBondContact O-OG 3.19Å; R191-S194 WeakPolarHBondContact O-CB 3.42Å; R191-S194 PolarHBondContact O-N 2.96Å; V192-S194 VanDerWaalsContact C-N 3.31Å; V192-S194 PolarHBondContact O-N 3.38Å; S194-Y198 WeakPolarHBondContact O-CD2 3.47Å; S194-Y198 WeakPolarHBondContact O-CE2 3.48Å
195V97Very high94.4Very high0 Ų021.7 Ų21.70%011%0.111CC..Hα-helixtrans-78.5-44.4179.5171.10000111.4F144 F147 V167 I169 R191 V192 L193 A197 Y198 V201 V204F144-V195 HydrophobicContact CB-CG2 3.66Å; F144-V195 HydrophobicContact CD1-CG2 4.24Å; F144-V195 HydrophobicContact CG-CG2 3.98Å; F147-V195 HydrophobicContact CD2-CG2 3.62Å; F147-V195 HydrophobicContact CE2-CG2 3.89Å; V167-V195 HydrophobicContact CB-CG1 3.89Å; V167-V195 HydrophobicContact CG1-CG1 3.81Å; V167-V195 HydrophobicContact CG2-CG1 4.05Å; I169-V195 HydrophobicContact CD1-CB 4.31Å; I169-V195 HydrophobicContact CD1-CG1 4.33Å; I169-V195 HydrophobicContact CD1-CG2 3.79Å; R191-V195 WeakPolarHBondContact O-CG2 3.32Å; R191-V195 PolarHBondContact O-N 3.22Å; V192-V195 PolarHBondContact O-N 3.3Å; L193-V195 PolarHBondContact O-N 3.03Å; V195-A197 PolarHBondContact O-N 2.84Å; V195-A197 VanDerWaalsContact O-N 3.15Å; V195-Y198 PolarHBondContact O-N 3.18Å; V195-V201 HydrophobicContact CG1-CG1 4.01Å; V195-V201 HydrophobicContact CG1-CG2 3.93Å; V195-V204 HydrophobicContact CB-CG2 4.4Å; V195-V204 HydrophobicContact CG1-CG2 3.77Å
196L96.8Very high94.7Very high6 Ų626 Ų263%0.03113%0.13CC..Hα-helixtrans-62-19.9178-76.4175.1000114.2F125 V192 L193 Y198 V204F125-L196 HydrophobicContact CB-CB 3.99Å; F125-L196 HydrophobicContact CB-CD1 4.2Å; V192-L196 HydrophobicContact CG1-CD1 3.81Å; V192-L196 HydrophobicContact CG1-CG 4.43Å; V192-L196 WeakPolarHBondContact O-CB 3.47Å; V192-L196 WeakPolarHBondContact O-CG 3.5Å; V192-L196 PolarHBondContact O-N 2.99Å; L193-L196 PolarHBondContact O-N 3.31Å; L196-Y198 VanDerWaalsContact C-N 3.25Å; L196-Y198 PolarHBondContact O-N 3.28Å; L196-V204 HydrophobicContact CD2-CB 4.11Å; L196-V204 HydrophobicContact CD2-CG2 3.6Å; L196-V204 HydrophobicContact CG-CB 4.34Å; L196-V204 HydrophobicContact CG-CG2 3.8Å
197A96.6Very high94.9Very high11 Ų1127 Ų279%0.09114%0.144CC..THydrogen-bonded Turntrans-71.2-16.3179.200000114I5 K6 W7 F125 L193 V195I5-A197 CarbonylContact C-O 3.43Å; I5-A197 WeakPolarHBondContact CA-O 3.28Å; K6-A197 WeakPolarHBondContact CG-O 3.29Å; K6-A197 PolarHBondContact N-O 3.07Å; W7-A197 HydrophobicContact CZ3-CB 4.05Å; F125-A197 HydrophobicContact CD1-CB 4.18Å; F125-A197 HydrophobicContact CE1-CB 4.1Å; L193-A197 PolarHBondContact O-N 2.82Å; V195-A197 PolarHBondContact O-N 2.84Å; V195-A197 VanDerWaalsContact O-N 3.15Å
198Y97.2Very high95.1Very high23 Ų2326.2 Ų26.29%0.0914%0.139CC..BIsolated β-bridgetrans-101.3140.7-170.5-74.8-94.2000113.6M1 G4 I5 F147 L152 S194 V195 L196 V201M1-Y198 HydrophobicContact CE-CE1 4.4Å; M1-Y198 WeakPolarHBondContact CE-OH 3.25Å; G4-Y198 VanDerWaalsContact C-CD1 3.45Å; G4-Y198 CarbonylContact O-C 3.57Å; G4-Y198 WeakPolarHBondContact O-CA 3.41Å; G4-Y198 VanDerWaalsContact O-CD1 3.29Å; G4-Y198 WeakPolarHBondContact O-CD1 3.37Å; I5-Y198 HydrophobicContact CG1-CD1 4.5Å; I5-Y198 HydrophobicContact CG1-CE1 3.99Å; F147-Y198 AromaticContact CD1-CD2 3.81Å; F147-Y198 HydrophobicContact CD1-CD2 3.81Å; F147-Y198 HydrophobicContact CD1-CE1 4.39Å; F147-Y198 AromaticContact CD1-CE2 3.28Å; F147-Y198 HydrophobicContact CD1-CE2 3.28Å; F147-Y198 AromaticContact CD1-CZ 3.63Å; F147-Y198 AromaticContact CE1-CD1 3.91Å; F147-Y198 HydrophobicContact CE1-CD1 3.91Å; F147-Y198 AromaticContact CE1-CD2 3.37Å; F147-Y198 HydrophobicContact CE1-CD2 3.37Å; F147-Y198 AromaticContact CE1-CE1 3.8Å; F147-Y198 HydrophobicContact CE1-CE1 3.8Å; F147-Y198 AromaticContact CE1-CE2 3.25Å; F147-Y198 HydrophobicContact CE1-CE2 3.25Å; F147-Y198 AromaticContact CE1-CG 3.71Å; F147-Y198 HydrophobicContact CE1-CG 3.71Å; F147-Y198 AromaticContact CE1-CZ 3.47Å; F147-Y198 VanDerWaalsContact CE1-CZ 3.47Å; F147-Y198 HydrophobicContact CE2-CD2 4.46Å; F147-Y198 HydrophobicContact CG-CE2 4.16Å; F147-Y198 HydrophobicContact CZ-CD1 4.42Å; F147-Y198 AromaticContact CZ-CD2 3.73Å; F147-Y198 HydrophobicContact CZ-CD2 3.73Å; F147-Y198 HydrophobicContact CZ-CE2 4.08Å; F147-Y198 AromaticContact CZ-CG 3.92Å; F147-Y198 HydrophobicContact CZ-CG 3.92Å; L152-Y198 HydrophobicContact CD1-CD1 3.62Å; L152-Y198 HydrophobicContact CD1-CE1 4.32Å; L152-Y198 HydrophobicContact CD1-CG 4.35Å; L152-Y198 HydrophobicContact CD2-CD1 4.08Å; L152-Y198 HydrophobicContact CD2-CE1 3.97Å; L152-Y198 HydrophobicContact CG-CD1 4.34Å; S194-Y198 WeakPolarHBondContact O-CD2 3.47Å; S194-Y198 WeakPolarHBondContact O-CE2 3.48Å; V195-Y198 PolarHBondContact O-N 3.18Å; L196-Y198 VanDerWaalsContact C-N 3.25Å; L196-Y198 PolarHBondContact O-N 3.28Å; Y198-V201 PolarHBondContact O-N 3.45Å; Y198-V201 VanDerWaalsContact O-N 3.15Å
199K96.2Very high95.2Very high93 Ų9327.5 Ų27.540%0.40415%0.149SC..THydrogen-bonded Turntrans-50.2-40.5-176.1-69.6172.9178.4170.60115.7A3 G4 I5 K6 V8 V201A3-K199 WeakPolarHBondContact O-CE 3.21Å; A3-K199 PolarHBondContact O-NZ 2.96Å; G4-K199 WeakPolarHBondContact O-CG 3.28Å; G4-K199 PolarHBondContact O-N 3.34Å; I5-K199 VanDerWaalsContact O-CE 3.27Å; I5-K199 WeakPolarHBondContact O-CE 3.41Å; K6-K199 HydrophobicContact CB-CG 4.03Å; V8-K199 VanDerWaalsContact O-CE 3.28Å; V8-K199 WeakPolarHBondContact O-CE 3.35Å; V8-K199 PolarHBondContact O-NZ 3.03Å; K199-V201 PolarHBondContact O-N 2.79Å
200P96.6Very high95.1Very high11 Ų1126.5 Ų26.57%0.07114%0.142CC..THydrogen-bonded Turntrans-68.8-20.7-176.4-21.434.6000113.6L152 L155 E156 K159 L165L152-P200 HydrophobicContact CD1-CG 4.17Å; L155-P200 HydrophobicContact CB-CB 4.21Å; L155-P200 HydrophobicContact CB-CG 4.48Å; E156-P200 HydrophobicContact CG-CG 3.81Å; K159-P200 HydrophobicContact CB-CB 4.22Å; K159-P200 HydrophobicContact CG-CB 4.45Å; L165-P200 WeakPolarHBondContact CB-O 3.26Å; L165-P200 HydrophobicContact CD2-CB 4.17Å; L165-P200 WeakPolarHBondContact CD2-O 3.35Å
201V97.4Very high95.1Very high3 Ų330.5 Ų30.52%0.01816%0.161CC..  trans-91128.2-169.4-179.20000110.7L155 V167 V195 Y198 K199 V204L155-V201 HydrophobicContact CD1-CG2 3.86Å; V167-V201 HydrophobicContact CG2-CB 4.49Å; V167-V201 HydrophobicContact CG2-CG1 3.95Å; V167-V201 HydrophobicContact CG2-CG2 3.9Å; V195-V201 HydrophobicContact CG1-CG1 4.01Å; V195-V201 HydrophobicContact CG1-CG2 3.93Å; Y198-V201 PolarHBondContact O-N 3.45Å; Y198-V201 VanDerWaalsContact O-N 3.15Å; K199-V201 PolarHBondContact O-N 2.79Å; V201-V204 HydrophobicContact CG1-CG2 3.97Å
202N97.1Very high95.1Very high23 Ų2330.8 Ų30.812%0.12316%0.163CC..  trans-103.7-37.1174.8-59.5105.9000112.5E127 K159 Y164 L165E127-N202 PolarHBondContact OE2-ND2 2.98Å; E127-N202 VanDerWaalsContact OE2-ND2 3.08Å; K159-N202 PolarHBondContact NZ-OD1 3.31Å; Y164-N202 HydrophobicContact CD1-CB 4.08Å; Y164-N202 HydrophobicContact CD2-CB 3.81Å; Y164-N202 HydrophobicContact CE1-CB 3.86Å; Y164-N202 HydrophobicContact CE2-CB 3.57Å; Y164-N202 HydrophobicContact CG-CB 4.06Å; L165-N202 PolarHBondContact N-OD1 3.33Å; L165-N202 PolarHBondContact O-N 3.27Å
203E96.6Very high95Very high68 Ų6833.1 Ų33.132%0.31818%0.177SC..EExtended strand (participates in β ladder)trans-144.7154.2-177.1-172.758.2-79.100111.9Y164 L165 I166 V167Y164-E203 HydrophobicContact CE1-CB 3.74Å; L165-E203 PolarHBondContact O-N 3.42Å; I166-E203 WeakPolarHBondContact CA-O 3.48Å; I166-E203 HydrophobicContact CG1-CB 4.21Å; I166-E203 HydrophobicContact CG2-CB 4.44Å; V167-E203 PolarHBondContact N-O 3.17Å
204V97Very high95Very high7 Ų734 Ų344%0.04218%0.184CC..EExtended strand (participates in β ladder)trans-127.3130.7177.3170.30000111V167 I169 V192 V195 L196 V201 F206V167-V204 HydrophobicContact CB-CG2 4.37Å; V167-V204 CarbonylContact O-C 3.23Å; V167-V204 VanDerWaalsContact O-CA 3.28Å; V167-V204 WeakPolarHBondContact O-CA 3.48Å; I169-V204 HydrophobicContact CB-CG1 4.36Å; I169-V204 HydrophobicContact CG1-CG1 3.45Å; I169-V204 VanDerWaalsContact CG1-CG1 3.45Å; V192-V204 HydrophobicContact CB-CG1 4.47Å; V192-V204 HydrophobicContact CG1-CG1 4.27Å; V192-V204 HydrophobicContact CG2-CG1 3.93Å; V195-V204 HydrophobicContact CB-CG2 4.4Å; V195-V204 HydrophobicContact CG1-CG2 3.77Å; L196-V204 HydrophobicContact CD2-CB 4.11Å; L196-V204 HydrophobicContact CD2-CG2 3.6Å; L196-V204 HydrophobicContact CG-CB 4.34Å; L196-V204 HydrophobicContact CG-CG2 3.8Å; V201-V204 HydrophobicContact CG1-CG2 3.97Å; V204-F206 HydrophobicContact CB-CD1 4.45Å; V204-F206 HydrophobicContact CB-CE1 4.25Å; V204-F206 HydrophobicContact CG1-CD1 3.84Å; V204-F206 HydrophobicContact CG1-CE1 3.97Å; V204-F206 WeakPolarHBondContact O-CD1 3.41Å
205V96Very high95Very high24 Ų2438.3 Ų38.315%0.14521%0.205CC..EExtended strand (participates in β ladder)trans-93.6118.1170.1179.10000109.1Y139 I166 V167 I169 A208 F220Y139-V205 HydrophobicContact CE2-CG2 4.33Å; I166-V205 HydrophobicContact CG2-CG2 3.69Å; V167-V205 PolarHBondContact O-N 3.1Å; I169-V205 PolarHBondContact N-O 2.72Å; V205-A208 HydrophobicContact CB-CB 4.48Å; V205-A208 HydrophobicContact CG1-CB 4.13Å; V205-F220 HydrophobicContact CG2-CE2 3.71Å; V205-F220 HydrophobicContact CG2-CZ 3.76Å
206F93.8Very high94.9Very high90 Ų9039 Ų3940%0.39521%0.209SC..EExtended strand (participates in β ladder)trans-83.4123.1-175.2-68.837.4000108.8I122 V192 V204I122-F206 HydrophobicContact CD1-CE2 3.88Å; I122-F206 HydrophobicContact CD1-CZ 4.15Å; I122-F206 HydrophobicContact CG1-CZ 4.5Å; I122-F206 HydrophobicContact CG2-CZ 4.12Å; V192-F206 HydrophobicContact CB-CZ 4.37Å; V192-F206 HydrophobicContact CG1-CD1 4.29Å; V192-F206 HydrophobicContact CG1-CE1 3.54Å; V192-F206 HydrophobicContact CG1-CE2 3.86Å; V192-F206 HydrophobicContact CG1-CZ 3.31Å; V192-F206 HydrophobicContact CG2-CD1 4Å; V192-F206 HydrophobicContact CG2-CD2 4.11Å; V192-F206 HydrophobicContact CG2-CE1 4.1Å; V192-F206 HydrophobicContact CG2-CE2 4.21Å; V192-F206 HydrophobicContact CG2-CG 4.01Å; V192-F206 HydrophobicContact CG2-CZ 4.23Å; V204-F206 HydrophobicContact CB-CD1 4.45Å; V204-F206 HydrophobicContact CB-CE1 4.25Å; V204-F206 HydrophobicContact CG1-CD1 3.84Å; V204-F206 HydrophobicContact CG1-CE1 3.97Å; V204-F206 WeakPolarHBondContact O-CD1 3.41Å
207G91Very high94.8Very high35 Ų3538.7 Ų38.736%0.36121%0.207SC..EExtended strand (participates in β ladder)trans68.939.8177.500000111.6I169I169-G207 CarbonylContact O-C 3.46Å; I169-G207 WeakPolarHBondContact O-CA 3.28Å; I169-G207 PolarHBondContact O-N 2.71Å
208A94.4Very high94.8Very high2 Ų242.8 Ų42.82%0.01723%0.228CC..EExtended strand (participates in β ladder)trans-53.9140.9176.200000110.5I169 L170 V205I169-A208 PolarHBondContact O-N 3.19Å; L170-A208 WeakPolarHBondContact CD2-O 3.43Å; V205-A208 HydrophobicContact CB-CB 4.48Å; V205-A208 HydrophobicContact CG1-CB 4.13Å
209P91.6Very high94.7Very high52 Ų5248.5 Ų48.534%0.33826%0.255SS..  trans-62.7154.8174.628.5-34.6000110.5L170 E211 I216L170-P209 WeakPolarHBondContact CD2-O 3.42Å; P209-E211 WeakPolarHBondContact CG-O 3.19Å; P209-I216 HydrophobicContact CG-CD1 3.31Å
210Y90.1Very high94.6Very high50 Ų5046.7 Ų46.720%0.19625%0.247CC..SBendtrans-62.9-46.2175.5-177-108.5000111.3L170 T174 Y178 L241 P246L170-Y210 HydrophobicContact CD1-CD2 4.34Å; T174-Y210 HydrophobicContact CG2-CD2 3.98Å; T174-Y210 HydrophobicContact CG2-CG 4.29Å; Y178-Y210 HydrophobicContact CD1-CE2 4.38Å; Y210-L241 HydrophobicContact CD1-CD2 4.21Å; Y210-L241 HydrophobicContact CE1-CB 4.25Å; Y210-L241 HydrophobicContact CE1-CD2 4.35Å; Y210-P246 HydrophobicContact CD1-CB 4.22Å; Y210-P246 HydrophobicContact CE1-CB 4.05Å; Y210-P246 HydrophobicContact CE1-CG 4.17Å; Y210-P246 WeakPolarHBondContact O-CB 3.46Å
211E92.5Very high94.6Very high96 Ų9651.3 Ų51.345%0.44927%0.271SS..SBendtrans-85136.6174.3-65.4174.9-118.400110.8P209 T213 I244P209-E211 WeakPolarHBondContact CG-O 3.19Å; E211-T213 PolarHBondContact O-N 3.23Å; E211-I244 HydrophobicContact CG-CG2 3.51Å
212I93.5Very high94.6Very high5 Ų551.7 Ų51.73%0.02627%0.274CS..  trans-78.6106.3174.5-59.3179.5000108.1Y139 T141 L217 V225 P246 F247 E249Y139-I212 HydrophobicContact CD1-CD1 4.19Å; Y139-I212 HydrophobicContact CE1-CD1 4.07Å; Y139-I212 HydrophobicContact CE1-CG1 4.15Å; T141-I212 HydrophobicContact CG2-CD1 4.08Å; T141-I212 HydrophobicContact CG2-CG1 4.22Å; I212-L217 HydrophobicContact CG2-CD1 4.07Å; I212-L217 HydrophobicContact CG2-CD2 3.65Å; I212-L217 HydrophobicContact CG2-CG 3.82Å; I212-V225 HydrophobicContact CD1-CG1 3.48Å; I212-V225 VanDerWaalsContact CD1-CG1 3.48Å; I212-P246 WeakPolarHBondContact CB-O 3.4Å; I212-P246 PolarHBondContact N-O 3.31Å; I212-F247 HydrophobicContact CD1-CD1 3.48Å; I212-F247 VanDerWaalsContact CD1-CD1 3.48Å; I212-F247 HydrophobicContact CD1-CE1 3.68Å; I212-E249 VanDerWaalsContact O-CB 3.23Å; I212-E249 WeakPolarHBondContact O-CB 3.38Å
213T93.8Very high94.7Very high51 Ų5153.3 Ų53.331%0.31328%0.28SS..  trans-84.2158.6-178.864.80000111.8E211 D215 I216 L217E211-T213 PolarHBondContact O-N 3.23Å; T213-D215 PolarHBondContact O-N 3.28Å; T213-I216 PolarHBondContact O-N 3.27Å; T213-L217 WeakPolarHBondContact O-CG 3.31Å; T213-L217 PolarHBondContact O-N 2.85Å
214S95.2Very high94.7Very high34 Ų3450 Ų5024%0.23827%0.265CS..Hα-helixtrans-57.5-38.8171.6-750000111.8I216 L217 D218 E249 R253S214-I216 VanDerWaalsContact C-N 3.32Å; S214-I216 PolarHBondContact O-N 3.21Å; S214-L217 PolarHBondContact O-N 3.12Å; S214-L217 VanDerWaalsContact O-N 3.11Å; S214-D218 WeakPolarHBondContact O-CB 3.49Å; S214-D218 PolarHBondContact O-N 3.28Å; S214-D218 VanDerWaalsContact O-OD2 3.04Å; S214-E249 VanDerWaalsContact OG-CD 3.28Å; S214-E249 PolarHBondContact OG-OE1 3.43Å; S214-R253 PolarHBondContact OG-NH2 3.36Å
215D95Very high94.8Very high120 Ų12049.7 Ų49.764%0.64226%0.263SS*.Hα-helixtrans-57.3-42.4-179.2-59.1-24.8000112.6T213 Q219T213-D215 PolarHBondContact O-N 3.28Å; D215-Q219 WeakPolarHBondContact O-CB 3.19Å; D215-Q219 PolarHBondContact O-N 3.47Å
216I94.1Very high94.8Very high14 Ų1448.6 Ų48.67%0.07226%0.257CS..Hα-helixtrans-67.6-44.6177.2-71.8177.1000110.8Y139 P209 T213 S214 D218 F220Y139-I216 HydrophobicContact CD2-CG2 4.48Å; Y139-I216 HydrophobicContact CE1-CG2 4.49Å; Y139-I216 HydrophobicContact CE2-CG2 4.08Å; P209-I216 HydrophobicContact CG-CD1 3.31Å; T213-I216 PolarHBondContact O-N 3.27Å; S214-I216 VanDerWaalsContact C-N 3.32Å; S214-I216 PolarHBondContact O-N 3.21Å; I216-D218 VanDerWaalsContact C-N 3.29Å; I216-D218 PolarHBondContact O-N 2.72Å; I216-F220 HydrophobicContact CG2-CD2 4.02Å; I216-F220 HydrophobicContact CG2-CE2 4.42Å; I216-F220 WeakPolarHBondContact O-CD2 3.13Å; I216-F220 PolarHBondContact O-N 2.89Å; I216-F220 VanDerWaalsContact O-N 3.15Å
217L96.2Very high94.9Very high1 Ų146.4 Ų46.41%0.00525%0.249CC..Hα-helixtrans-63.5-39.2-179.4-62.1177.9000111.5I212 T213 S214 N221 V222 V225 E249 I255I212-L217 HydrophobicContact CG2-CD1 4.07Å; I212-L217 HydrophobicContact CG2-CD2 3.65Å; I212-L217 HydrophobicContact CG2-CG 3.82Å; T213-L217 WeakPolarHBondContact O-CG 3.31Å; T213-L217 PolarHBondContact O-N 2.85Å; S214-L217 PolarHBondContact O-N 3.12Å; S214-L217 VanDerWaalsContact O-N 3.11Å; L217-N221 CarbonylContact O-C 3.58Å; L217-N221 VanDerWaalsContact O-CA 3.32Å; L217-N221 WeakPolarHBondContact O-CA 3.27Å; L217-N221 PolarHBondContact O-N 2.81Å; L217-N221 VanDerWaalsContact O-N 3.16Å; L217-V222 HydrophobicContact CB-CB 4.47Å; L217-V222 HydrophobicContact CD2-CB 3.74Å; L217-V222 HydrophobicContact CD2-CG1 3.79Å; L217-V222 HydrophobicContact CD2-CG2 4.1Å; L217-V222 PolarHBondContact O-N 3.37Å; L217-V225 HydrophobicContact CD2-CG2 3.72Å; L217-E249 HydrophobicContact CD1-CG 3.69Å; L217-I255 HydrophobicContact CD1-CD1 4.36Å; L217-I255 HydrophobicContact CD2-CD1 4.33Å
218D96.4Very high94.7Very high97 Ų9745.8 Ų45.852%0.51924%0.243SC..Hα-helixtrans-79.1-42.6-178.5-63.7-34.2000111.5S214 I216 F220 N221 R253S214-D218 WeakPolarHBondContact O-CB 3.49Å; S214-D218 PolarHBondContact O-N 3.28Å; S214-D218 VanDerWaalsContact O-OD2 3.04Å; I216-D218 VanDerWaalsContact C-N 3.29Å; I216-D218 PolarHBondContact O-N 2.72Å; D218-F220 PolarHBondContact O-N 3.41Å; D218-N221 PolarHBondContact O-N 3.49Å; D218-R253 IonicContact OD1-CZ 2.89Å; D218-R253 IonicContact OD1-NH1 3.98Å; D218-R253 PolarHBondContact OD1-NH1 3.36Å; D218-R253 IonicContact OD1-NH2 3.9Å; D218-R253 PolarHBondContact OD1-NH2 2.72Å; D218-R253 IonicContact OD2-CZ 3.34Å; D218-R253 IonicContact OD2-NH1 3Å; D218-R253 IonicContact OD2-NH2 2.8Å; D218-R253 PolarHBondContact OD2-NH2 3.31Å
219Q94.6Very high93.9Very high143 Ų14350.3 Ų50.367%0.66826%0.262SS*.Hα-helixtrans-59.5-44.8178.9176.3179.8-12.200112.2D215D215-Q219 WeakPolarHBondContact O-CB 3.19Å; D215-Q219 PolarHBondContact O-N 3.47Å
220F94.8Very high92.7Very high55 Ų5553.4 Ų53.424%0.24127%0.267CS..THydrogen-bonded Turntrans-92.71.2-179.2-65.4-69.2000113.1I166 V205 I216 D218 V222I166-F220 HydrophobicContact CD1-CB 3.68Å; I166-F220 HydrophobicContact CD1-CD1 3.76Å; I166-F220 HydrophobicContact CD1-CG 3.79Å; V205-F220 HydrophobicContact CG2-CE2 3.71Å; V205-F220 HydrophobicContact CG2-CZ 3.76Å; I216-F220 HydrophobicContact CG2-CD2 4.02Å; I216-F220 HydrophobicContact CG2-CE2 4.42Å; I216-F220 WeakPolarHBondContact O-CD2 3.13Å; I216-F220 PolarHBondContact O-N 2.89Å; I216-F220 VanDerWaalsContact O-N 3.15Å; D218-F220 PolarHBondContact O-N 3.41Å; F220-V222 HydrophobicContact CB-CG2 3.92Å
221N95.9Very high91.1Very high107 Ų10757.4 Ų57.457%0.57229%0.292SS*.THydrogen-bonded Turntrans46.365-172.7-177.741.8000109.9V137 L217 D218 Q223V137-N221 WeakPolarHBondContact CB-O 3.47Å; L217-N221 CarbonylContact O-C 3.58Å; L217-N221 VanDerWaalsContact O-CA 3.32Å; L217-N221 WeakPolarHBondContact O-CA 3.27Å; L217-N221 PolarHBondContact O-N 2.81Å; L217-N221 VanDerWaalsContact O-N 3.16Å; D218-N221 PolarHBondContact O-N 3.49Å; N221-Q223 VanDerWaalsContact C-NE2 3.31Å; N221-Q223 PolarHBondContact ND2-NE2 2.92Å; N221-Q223 VanDerWaalsContact ND2-NE2 3.12Å; N221-Q223 VanDerWaalsContact O-CD 3.29Å; N221-Q223 PolarHBondContact O-NE2 2.93Å; N221-Q223 PolarHBondContact O-OE1 2.95Å; N221-Q223 PolarHBondContact OD1-NE2 3.45Å
222V97.5Very high88.9Confident11 Ų1160.2 Ų60.27%0.06731%0.31CS..  trans-81.8127.2-177.1176.60000110.1V137 L217 F220 A224 V225V137-V222 HydrophobicContact CG1-CG2 4.39Å; L217-V222 HydrophobicContact CB-CB 4.47Å; L217-V222 HydrophobicContact CD2-CB 3.74Å; L217-V222 HydrophobicContact CD2-CG1 3.79Å; L217-V222 HydrophobicContact CD2-CG2 4.1Å; L217-V222 PolarHBondContact O-N 3.37Å; F220-V222 HydrophobicContact CB-CG2 3.92Å; V222-A224 WeakPolarHBondContact CG1-O 3.32Å; V222-V225 HydrophobicContact CG1-CG2 3.94Å
223Q97.9Very high86.5Confident57 Ų5767.7 Ų67.727%0.26635%0.35SS..  trans-101.6-17.8176.5-7378.356.200114K136 V137 N221 I255K136-Q223 HydrophobicContact CD-CB 4.44Å; K136-Q223 HydrophobicContact CG-CB 3.74Å; K136-Q223 HydrophobicContact CG-CG 4.25Å; V137-Q223 PolarHBondContact O-N 3.04Å; N221-Q223 VanDerWaalsContact C-NE2 3.31Å; N221-Q223 PolarHBondContact ND2-NE2 2.92Å; N221-Q223 VanDerWaalsContact ND2-NE2 3.12Å; N221-Q223 VanDerWaalsContact O-CD 3.29Å; N221-Q223 PolarHBondContact O-NE2 2.93Å; N221-Q223 PolarHBondContact O-OE1 2.95Å; N221-Q223 PolarHBondContact OD1-NE2 3.45Å; Q223-I255 WeakPolarHBondContact O-CB 3.36Å; Q223-I255 WeakPolarHBondContact O-CG2 3.33Å
224A98Very high84.1Confident0 Ų070.3 Ų70.30%037%0.37CS..EExtended strand (participates in β ladder)trans-147.3135178.900000110.6V137 V138 Y139 F161 V222 I226 I255V137-A224 PolarHBondContact O-N 3.37Å; V138-A224 CarbonylContact C-O 3.58Å; V138-A224 WeakPolarHBondContact CA-O 3.41Å; V138-A224 HydrophobicContact CG1-CB 4.45Å; V138-A224 HydrophobicContact CG2-CB 4.41Å; Y139-A224 PolarHBondContact N-O 3.19Å; F161-A224 HydrophobicContact CB-CB 4.45Å; V222-A224 WeakPolarHBondContact CG1-O 3.32Å; A224-I226 HydrophobicContact CB-CD1 4.11Å; A224-I255 WeakPolarHBondContact CA-O 3.14Å
225V98.1Very high81.8Confident0 Ų072.5 Ų72.50%039%0.386CS..EExtended strand (participates in β ladder)trans-114119.9172.1175.50000108.1Y139 I212 L217 V222 F247 A250 I255 Y256 H257Y139-V225 VanDerWaalsContact O-CA 3.3Å; Y139-V225 WeakPolarHBondContact O-CA 3.28Å; I212-V225 HydrophobicContact CD1-CG1 3.48Å; I212-V225 VanDerWaalsContact CD1-CG1 3.48Å; L217-V225 HydrophobicContact CD2-CG2 3.72Å; V222-V225 HydrophobicContact CG1-CG2 3.94Å; V225-F247 HydrophobicContact CG1-CD1 3.86Å; V225-F247 HydrophobicContact CG1-CE1 4.11Å; V225-A250 HydrophobicContact CB-CB 3.76Å; V225-A250 HydrophobicContact CG1-CB 4.03Å; V225-A250 HydrophobicContact CG2-CB 3.72Å; V225-I255 HydrophobicContact CG2-CD1 4.24Å; V225-I255 HydrophobicContact CG2-CG1 4.42Å; V225-I255 PolarHBondContact N-O 3.15Å; V225-Y256 HydrophobicContact CG1-CD2 4.46Å; V225-Y256 WeakPolarHBondContact O-CA 3.45Å; V225-H257 PolarHBondContact O-N 2.94Å
226I97.6Very high79.5Confident1 Ų173.2 Ų73.21%0.00539%0.394CS..EExtended strand (participates in β ladder)trans-110130.6-175.5-42.2-60000109.8V138 Y139 V140 F154 A158 F161 A224 H257 V259V138-I226 HydrophobicContact CG1-CD1 4.28Å; V138-I226 HydrophobicContact CG1-CG1 3.46Å; V138-I226 VanDerWaalsContact CG1-CG1 3.46Å; Y139-I226 PolarHBondContact O-N 3.31Å; V140-I226 HydrophobicContact CG1-CB 3.87Å; V140-I226 HydrophobicContact CG1-CG1 4.46Å; V140-I226 WeakPolarHBondContact CG1-O 3.47Å; F154-I226 HydrophobicContact CE2-CG2 4.11Å; A158-I226 HydrophobicContact CB-CB 4.02Å; A158-I226 HydrophobicContact CB-CG1 4.13Å; A158-I226 HydrophobicContact CB-CG2 4.06Å; F161-I226 HydrophobicContact CB-CD1 3.8Å; F161-I226 HydrophobicContact CB-CG1 4.32Å; F161-I226 HydrophobicContact CD1-CD1 3.6Å; F161-I226 HydrophobicContact CD2-CD1 3.91Å; F161-I226 HydrophobicContact CD2-CG1 4.39Å; F161-I226 HydrophobicContact CE1-CD1 4.13Å; F161-I226 HydrophobicContact CE2-CD1 4.43Å; F161-I226 HydrophobicContact CG-CD1 3.47Å; F161-I226 VanDerWaalsContact CG-CD1 3.47Å; F161-I226 HydrophobicContact CG-CG1 4.25Å; A224-I226 HydrophobicContact CB-CD1 4.11Å; I226-H257 WeakPolarHBondContact CA-O 2.86Å; I226-H257 HydrophobicContact CD1-CB 3.75Å; I226-V259 HydrophobicContact CG2-CB 4.23Å; I226-V259 HydrophobicContact CG2-CG1 3.67Å; I226-V259 HydrophobicContact CG2-CG2 3.52Å
227N94.4Very high77.5Confident43 Ų4375.2 Ų75.223%0.2341%0.407CS..EExtended strand (participates in β ladder)trans-116.7145.2171.5-175.437.3000110.6F247 Y256 H257 E258 V259N227-F247 HydrophobicContact CB-CE1 3.99Å; N227-F247 HydrophobicContact CB-CE2 4.25Å; N227-F247 HydrophobicContact CB-CZ 3.79Å; N227-Y256 HydrophobicContact CB-CE2 3.66Å; N227-Y256 WeakPolarHBondContact CB-OH 3.44Å; N227-Y256 PolarHBondContact ND2-OH 3.08Å; N227-Y256 VanDerWaalsContact ND2-OH 3.12Å; N227-H257 PolarHBondContact N-O 3.38Å; N227-E258 WeakPolarHBondContact O-CA 3.31Å; N227-V259 PolarHBondContact O-N 3.37Å
228G87.3Confident75.5Confident23 Ų2379.1 Ų79.124%0.23743%0.428CS..EExtended strand (participates in β ladder)trans-78.6125.5175.200000110.2F154 V259F154-G228 VanDerWaalsContact CE2-N 3.3Å; G228-V259 CarbonylContact C-O 3.58Å; G228-V259 WeakPolarHBondContact CA-O 3.42Å
229F76.9Confident73.5Confident96 Ų9679.1 Ų79.142%0.42144%0.435SS..  trans-66.7135.9171.1179.6-97000109.8V259F229-V259 PolarHBondContact N-O 3.25Å
230R67.4Low71.7Confident117 Ų11776.9 Ų76.944%0.44244%0.436SS..  trans-140.4137.9170.7-74.7-169.1154.9-164.4-4.4109.4N232 M265R230-N232 PolarHBondContact O-N 3.26Å; R230-M265 PolarHBondContact NH2-O 3.24Å
231D55.7Low70.1Confident135 Ų13575.7 Ų75.772%0.72243%0.431SS*.  trans-62.3121.3167.8-114-18.6000108.7N233D231-N233 PolarHBondContact O-N 2.72Å
232N47Very low68.5Low154 Ų15473.8 Ų73.882%0.82443%0.431SS*.THydrogen-bonded Turntrans-66.416.3-164.9-78.9-37.3000115.9R230R230-N232 PolarHBondContact O-N 3.26Å
233N42.1Very low67.1Low162 Ų16278.2 Ų78.287%0.86646%0.462SS*.THydrogen-bonded Turntrans-89.82.8-170.1-87.4-19000116D231D231-N233 PolarHBondContact O-N 2.72Å
234S44.9Very low66.3Low106 Ų10678.3 Ų78.374%0.74146%0.464SS*.SBendtrans-137.1-3.9-171.4-151.40000117.3V236S234-V236 PolarHBondContact O-N 2.64Å
235S46.6Very low65.9Low80 Ų8081.5 Ų81.556%0.55948%0.481SS*.  trans-98.495.1179.3-47.90000109.9V237S235-V237 PolarHBondContact O-N 2.94Å
236V45.6Very low65.5Low136 Ų13682.5 Ų82.582%0.82449%0.487SS*.  trans-67.284.5164.4-177.30000107.1S234 N238S234-V236 PolarHBondContact O-N 2.64Å; V236-N238 PolarHBondContact O-N 3.35Å
237V53.8Low65.3Low55 Ų5583.4 Ų83.433%0.33349%0.491SS..  trans-71.5118.8170.5-174.90000106.4S235 S239 A242S235-V237 PolarHBondContact O-N 2.94Å; V237-S239 PolarHBondContact O-N 3.4Å; V237-A242 HydrophobicContact CG1-CB 4.39Å
238N53.2Low65.3Low84 Ų8483.8 Ų83.845%0.44950%0.501SS..  trans-54.7137.4177.4-147.3-12.1000110.3Q177 Y178 V236 S240 L241Q177-N238 WeakPolarHBondContact O-CB 3.16Å; Q177-N238 PolarHBondContact O-ND2 3.09Å; Y178-N238 PolarHBondContact O-N 2.66Å; V236-N238 PolarHBondContact O-N 3.35Å; N238-S240 PolarHBondContact O-N 3.29Å; N238-L241 PolarHBondContact O-N 2.96Å
239S53.9Low65.6Low96 Ų9684 Ų8467%0.67150%0.496SS*.THydrogen-bonded Turntrans-60.4-16.8-159.960.60000115.9V237V237-S239 PolarHBondContact O-N 3.4Å
240S57.7Low66.5Low97 Ų9779.5 Ų79.568%0.67848%0.475SS*.THydrogen-bonded Turntrans-76.4-26.9-177.2-43.10000114.4N238N238-S240 PolarHBondContact O-N 3.29Å
241L61.4Low67.9Low29 Ų2978.1 Ų78.115%0.15247%0.473CS..THydrogen-bonded Turntrans-106.7-5.9179.7-70172.5000113.1Q177 Y210 N238 S243 I244Q177-L241 HydrophobicContact CB-CD1 4.19Å; Y210-L241 HydrophobicContact CD1-CD2 4.21Å; Y210-L241 HydrophobicContact CE1-CB 4.25Å; Y210-L241 HydrophobicContact CE1-CD2 4.35Å; N238-L241 PolarHBondContact O-N 2.96Å; L241-S243 PolarHBondContact O-N 3.18Å; L241-I244 HydrophobicContact CD2-CD1 4.36Å; L241-I244 PolarHBondContact O-N 2.93Å
242A61.8Low69.8Low67 Ų6780.2 Ų80.255%0.55447%0.471SS*.THydrogen-bonded Turntrans-67.7-18.7-176.900000113.9V237V237-A242 HydrophobicContact CG1-CB 4.39Å
243S68.3Low72.2Confident105 Ų10576.9 Ų76.973%0.73445%0.446SS*.THydrogen-bonded Turntrans-87.3-7.5179.555.20000114.3L241L241-S243 PolarHBondContact O-N 3.18Å
244I81.3Confident74.8Confident59 Ų5972 Ų7230%0.30344%0.435SS..  trans-107124.3-175.3-59.9174.4000108.3E211 L241 P246E211-I244 HydrophobicContact CG-CG2 3.51Å; L241-I244 HydrophobicContact CD2-CD1 4.36Å; L241-I244 PolarHBondContact O-N 2.93Å; I244-P246 WeakPolarHBondContact O-CD 3.05Å
245D88.1Confident77.3Confident67 Ų6768.4 Ų68.436%0.35841%0.407SS..  trans-85.61031701785.8000109.1F247 A248 K251D245-F247 PolarHBondContact O-N 2.82Å; D245-F247 PolarHBondContact OD1-N 3.13Å; D245-F247 VanDerWaalsContact OD1-N 3.07Å; D245-A248 HydrophobicContact CB-CB 4.21Å; D245-A248 WeakPolarHBondContact O-CB 3.18Å; D245-A248 PolarHBondContact O-N 3.46Å; D245-A248 VanDerWaalsContact O-N 3.1Å; D245-K251 IonicContact OD1-NZ 2.76Å; D245-K251 PolarHBondContact OD1-NZ 2.91Å; D245-K251 WeakPolarHBondContact OD2-CD 3.45Å; D245-K251 IonicContact OD2-NZ 2.65Å; D245-K251 PolarHBondContact OD2-NZ 3.44Å
246P90.3Very high79.8Confident20 Ų2066.5 Ų66.513%0.1339%0.388CS..THydrogen-bonded Turntrans-64.5-15-176.326.4-34000113.2Y210 I212 I244Y210-P246 HydrophobicContact CD1-CB 4.22Å; Y210-P246 HydrophobicContact CE1-CB 4.05Å; Y210-P246 HydrophobicContact CE1-CG 4.17Å; Y210-P246 WeakPolarHBondContact O-CB 3.46Å; I212-P246 WeakPolarHBondContact CB-O 3.4Å; I212-P246 PolarHBondContact N-O 3.31Å; I244-P246 WeakPolarHBondContact O-CD 3.05Å
247F93.9Very high82.2Confident21 Ų2163.3 Ų63.39%0.09236%0.364CS..THydrogen-bonded Turntrans-102.86.2-179.5-57.6-81.3000113.3T141 I212 V225 N227 D245 E249 A250 K251 Y256T141-F247 HydrophobicContact CG2-CE1 4.37Å; I212-F247 HydrophobicContact CD1-CD1 3.48Å; I212-F247 VanDerWaalsContact CD1-CD1 3.48Å; I212-F247 HydrophobicContact CD1-CE1 3.68Å; V225-F247 HydrophobicContact CG1-CD1 3.86Å; V225-F247 HydrophobicContact CG1-CE1 4.11Å; N227-F247 HydrophobicContact CB-CE1 3.99Å; N227-F247 HydrophobicContact CB-CE2 4.25Å; N227-F247 HydrophobicContact CB-CZ 3.79Å; D245-F247 PolarHBondContact O-N 2.82Å; D245-F247 PolarHBondContact OD1-N 3.13Å; D245-F247 VanDerWaalsContact OD1-N 3.07Å; F247-E249 PolarHBondContact O-N 3.23Å; F247-E249 VanDerWaalsContact O-N 3.16Å; F247-A250 PolarHBondContact O-N 3.34Å; F247-A250 VanDerWaalsContact O-N 3.1Å; F247-K251 HydrophobicContact CB-CD 4.35Å; F247-K251 WeakPolarHBondContact O-CG 3.47Å; F247-K251 PolarHBondContact O-N 3.21Å; F247-Y256 HydrophobicContact CB-CD2 3.71Å; F247-Y256 HydrophobicContact CB-CE2 3.6Å; F247-Y256 AromaticContact CD1-CD2 3.82Å; F247-Y256 HydrophobicContact CD1-CD2 3.82Å; F247-Y256 AromaticContact CD1-CE2 3.52Å; F247-Y256 HydrophobicContact CD1-CE2 3.52Å; F247-Y256 AromaticContact CD2-CE2 3.97Å; F247-Y256 HydrophobicContact CD2-CE2 3.97Å; F247-Y256 HydrophobicContact CE1-CE2 4.16Å; F247-Y256 AromaticContact CG-CD2 3.91Å; F247-Y256 HydrophobicContact CG-CD2 3.91Å; F247-Y256 AromaticContact CG-CE2 3.42Å; F247-Y256 HydrophobicContact CG-CE2 3.42Å; F247-Y256 VanDerWaalsContact CG-CE2 3.42Å
248A93.9Very high84.1Confident51 Ų5166 Ų6642%0.42137%0.372SS..Hα-helixtrans-52.3-41.5-175.700000112.6D245 K251 R252D245-A248 HydrophobicContact CB-CB 4.21Å; D245-A248 WeakPolarHBondContact O-CB 3.18Å; D245-A248 PolarHBondContact O-N 3.46Å; D245-A248 VanDerWaalsContact O-N 3.1Å; A248-K251 PolarHBondContact O-N 3Å; A248-R252 WeakPolarHBondContact O-CB 3.39Å; A248-R252 PolarHBondContact O-N 3.2Å
249E94.7Very high86.1Confident28 Ų2862.6 Ų62.613%0.13136%0.355CS..Hα-helixtrans-67.9-44.6179.6-178.853.1-152.300112.9I212 S214 L217 F247 K251 R252 R253I212-E249 VanDerWaalsContact O-CB 3.23Å; I212-E249 WeakPolarHBondContact O-CB 3.38Å; S214-E249 VanDerWaalsContact OG-CD 3.28Å; S214-E249 PolarHBondContact OG-OE1 3.43Å; L217-E249 HydrophobicContact CD1-CG 3.69Å; F247-E249 PolarHBondContact O-N 3.23Å; F247-E249 VanDerWaalsContact O-N 3.16Å; E249-K251 VanDerWaalsContact C-N 3.3Å; E249-K251 PolarHBondContact O-N 2.91Å; E249-R252 WeakPolarHBondContact O-CB 3.5Å; E249-R252 PolarHBondContact O-N 3.35Å; E249-R252 IonicContact OE1-CZ 3.46Å; E249-R252 IonicContact OE1-NE 3.51Å; E249-R252 PolarHBondContact OE1-NE 2.91Å; E249-R252 IonicContact OE1-NH2 2.69Å; E249-R252 PolarHBondContact OE1-NH2 3.05Å; E249-R252 IonicContact OE2-CZ 3.31Å; E249-R252 IonicContact OE2-NE 2.74Å; E249-R252 PolarHBondContact OE2-NE 2.86Å; E249-R252 IonicContact OE2-NH2 3.53Å; E249-R252 PolarHBondContact OE2-NH2 3.39Å; E249-R253 WeakPolarHBondContact O-CG 3.35Å; E249-R253 PolarHBondContact O-N 3.25Å; E249-R253 IonicContact OE1-CZ 3.88Å; E249-R253 IonicContact OE1-NE 3.82Å; E249-R253 PolarHBondContact OE1-NE 3.5Å; E249-R253 IonicContact OE1-NH2 2.99Å
250A95.7Very high87.9Confident0 Ų063 Ų630%035%0.349CS..Hα-helixtrans-63.7-38.717700000111.6V225 F247 R253 G254 I255 Y256V225-A250 HydrophobicContact CB-CB 3.76Å; V225-A250 HydrophobicContact CG1-CB 4.03Å; V225-A250 HydrophobicContact CG2-CB 3.72Å; F247-A250 PolarHBondContact O-N 3.34Å; F247-A250 VanDerWaalsContact O-N 3.1Å; A250-R253 PolarHBondContact O-N 3.12Å; A250-G254 PolarHBondContact O-N 3.19Å; A250-G254 VanDerWaalsContact O-N 3.14Å; A250-I255 HydrophobicContact CB-CG1 4.24Å; A250-I255 PolarHBondContact O-N 2.94Å; A250-Y256 PolarHBondContact O-N 3.25Å
251K96.1Very high89.4Confident89 Ų8959.6 Ų59.639%0.38733%0.326SS..Hα-helixtrans-64.2-44.4173.8-71.3166.8177.9164.80111.2D245 F247 A248 E249 R253 G254 Y256D245-K251 IonicContact OD1-NZ 2.76Å; D245-K251 PolarHBondContact OD1-NZ 2.91Å; D245-K251 WeakPolarHBondContact OD2-CD 3.45Å; D245-K251 IonicContact OD2-NZ 2.65Å; D245-K251 PolarHBondContact OD2-NZ 3.44Å; F247-K251 HydrophobicContact CB-CD 4.35Å; F247-K251 WeakPolarHBondContact O-CG 3.47Å; F247-K251 PolarHBondContact O-N 3.21Å; A248-K251 PolarHBondContact O-N 3Å; E249-K251 VanDerWaalsContact C-N 3.3Å; E249-K251 PolarHBondContact O-N 2.91Å; K251-R253 VanDerWaalsContact C-N 3.26Å; K251-R253 PolarHBondContact O-N 3.48Å; K251-G254 PolarHBondContact O-N 3.42Å; K251-Y256 HydrophobicContact CD-CD1 4.48Å; K251-Y256 HydrophobicContact CG-CD1 3.82Å; K251-Y256 HydrophobicContact CG-CD2 4.37Å; K251-Y256 HydrophobicContact CG-CG 3.72Å
252R96.6Very high90.8Very high178 Ų17861.5 Ų61.567%0.67235%0.353SS*.Hα-helixtrans-58.2-37.5175.6-174.817872.1111.8-5112.3A248 E249 G254A248-R252 WeakPolarHBondContact O-CB 3.39Å; A248-R252 PolarHBondContact O-N 3.2Å; E249-R252 WeakPolarHBondContact O-CB 3.5Å; E249-R252 PolarHBondContact O-N 3.35Å; E249-R252 IonicContact OE1-CZ 3.46Å; E249-R252 IonicContact OE1-NE 3.51Å; E249-R252 PolarHBondContact OE1-NE 2.91Å; E249-R252 IonicContact OE1-NH2 2.69Å; E249-R252 PolarHBondContact OE1-NH2 3.05Å; E249-R252 IonicContact OE2-CZ 3.31Å; E249-R252 IonicContact OE2-NE 2.74Å; E249-R252 PolarHBondContact OE2-NE 2.86Å; E249-R252 IonicContact OE2-NH2 3.53Å; E249-R252 PolarHBondContact OE2-NH2 3.39Å; R252-G254 VanDerWaalsContact C-N 3.33Å
253R96.8Very high92.1Very high84 Ų8459.7 Ų59.732%0.31734%0.336SS..THydrogen-bonded Turntrans-81.5-7176.5-66.4-176.4-172.4-149.2-0.8114.1S214 D218 E249 A250 K251 I255S214-R253 PolarHBondContact OG-NH2 3.36Å; D218-R253 IonicContact OD1-CZ 2.89Å; D218-R253 IonicContact OD1-NH1 3.98Å; D218-R253 PolarHBondContact OD1-NH1 3.36Å; D218-R253 IonicContact OD1-NH2 3.9Å; D218-R253 PolarHBondContact OD1-NH2 2.72Å; D218-R253 IonicContact OD2-CZ 3.34Å; D218-R253 IonicContact OD2-NH1 3Å; D218-R253 IonicContact OD2-NH2 2.8Å; D218-R253 PolarHBondContact OD2-NH2 3.31Å; E249-R253 WeakPolarHBondContact O-CG 3.35Å; E249-R253 PolarHBondContact O-N 3.25Å; E249-R253 IonicContact OE1-CZ 3.88Å; E249-R253 IonicContact OE1-NE 3.82Å; E249-R253 PolarHBondContact OE1-NE 3.5Å; E249-R253 IonicContact OE1-NH2 2.99Å; A250-R253 PolarHBondContact O-N 3.12Å; K251-R253 VanDerWaalsContact C-N 3.26Å; K251-R253 PolarHBondContact O-N 3.48Å; R253-I255 VanDerWaalsContact C-N 3.28Å; R253-I255 HydrophobicContact CB-CD1 4.24Å; R253-I255 HydrophobicContact CB-CG1 4Å; R253-I255 HydrophobicContact CB-CG2 4.49Å; R253-I255 PolarHBondContact O-N 3.43Å
254G97.1Very high93Very high61 Ų6160.8 Ų60.863%0.62933%0.334SS*.THydrogen-bonded Turntrans70.221.4-178.900000114.5A250 K251 R252A250-G254 PolarHBondContact O-N 3.19Å; A250-G254 VanDerWaalsContact O-N 3.14Å; K251-G254 PolarHBondContact O-N 3.42Å; R252-G254 VanDerWaalsContact C-N 3.33Å
255I97.5Very high93.4Very high29 Ų2959.3 Ų59.315%0.14933%0.326CS..  trans-109.87-177.664.3174.5000113L217 Q223 A224 V225 A250 R253 H257L217-I255 HydrophobicContact CD1-CD1 4.36Å; L217-I255 HydrophobicContact CD2-CD1 4.33Å; Q223-I255 WeakPolarHBondContact O-CB 3.36Å; Q223-I255 WeakPolarHBondContact O-CG2 3.33Å; A224-I255 WeakPolarHBondContact CA-O 3.14Å; V225-I255 HydrophobicContact CG2-CD1 4.24Å; V225-I255 HydrophobicContact CG2-CG1 4.42Å; V225-I255 PolarHBondContact N-O 3.15Å; A250-I255 HydrophobicContact CB-CG1 4.24Å; A250-I255 PolarHBondContact O-N 2.94Å; R253-I255 VanDerWaalsContact C-N 3.28Å; R253-I255 HydrophobicContact CB-CD1 4.24Å; R253-I255 HydrophobicContact CB-CG1 4Å; R253-I255 HydrophobicContact CB-CG2 4.49Å; R253-I255 PolarHBondContact O-N 3.43Å; I255-H257 PolarHBondContact O-CD2 3.35Å
256Y97.6Very high93.4Very high41 Ų4157.1 Ų57.116%0.16132%0.315CS..EExtended strand (participates in β ladder)trans-83.9132.4177.9177.1-99.9000111.4V225 N227 F247 A250 K251 E258V225-Y256 HydrophobicContact CG1-CD2 4.46Å; V225-Y256 WeakPolarHBondContact O-CA 3.45Å; N227-Y256 HydrophobicContact CB-CE2 3.66Å; N227-Y256 WeakPolarHBondContact CB-OH 3.44Å; N227-Y256 PolarHBondContact ND2-OH 3.08Å; N227-Y256 VanDerWaalsContact ND2-OH 3.12Å; F247-Y256 HydrophobicContact CB-CD2 3.71Å; F247-Y256 HydrophobicContact CB-CE2 3.6Å; F247-Y256 AromaticContact CD1-CD2 3.82Å; F247-Y256 HydrophobicContact CD1-CD2 3.82Å; F247-Y256 AromaticContact CD1-CE2 3.52Å; F247-Y256 HydrophobicContact CD1-CE2 3.52Å; F247-Y256 AromaticContact CD2-CE2 3.97Å; F247-Y256 HydrophobicContact CD2-CE2 3.97Å; F247-Y256 HydrophobicContact CE1-CE2 4.16Å; F247-Y256 AromaticContact CG-CD2 3.91Å; F247-Y256 HydrophobicContact CG-CD2 3.91Å; F247-Y256 AromaticContact CG-CE2 3.42Å; F247-Y256 HydrophobicContact CG-CE2 3.42Å; F247-Y256 VanDerWaalsContact CG-CE2 3.42Å; A250-Y256 PolarHBondContact O-N 3.25Å; K251-Y256 HydrophobicContact CD-CD1 4.48Å; K251-Y256 HydrophobicContact CG-CD1 3.82Å; K251-Y256 HydrophobicContact CG-CD2 4.37Å; K251-Y256 HydrophobicContact CG-CG 3.72Å; Y256-E258 HydrophobicContact CE1-CG 3.5Å; Y256-E258 VanDerWaalsContact OH-CD 3.32Å; Y256-E258 VanDerWaalsContact OH-CG 3.22Å; Y256-E258 WeakPolarHBondContact OH-CG 3.37Å; Y256-E258 PolarHBondContact OH-OE1 3.42Å
257H96.4Very high93.3Very high68 Ų6856.3 Ų56.332%0.31531%0.31SS..EExtended strand (participates in β ladder)trans-135146.6174.4-54.3-78.2000111F161 V225 I226 N227 I255F161-H257 HydrophobicContact CD1-CB 4.4Å; F161-H257 AromaticContact CD1-CD2 4Å; F161-H257 HydrophobicContact CE1-CB 3.86Å; F161-H257 AromaticContact CE1-CG 3.78Å; F161-H257 HydrophobicContact CZ-CB 4.39Å; V225-H257 PolarHBondContact O-N 2.94Å; I226-H257 WeakPolarHBondContact CA-O 2.86Å; I226-H257 HydrophobicContact CD1-CB 3.75Å; N227-H257 PolarHBondContact N-O 3.38Å; I255-H257 PolarHBondContact O-CD2 3.35Å
258E94.7Very high92.9Very high111 Ų11158.5 Ų58.552%0.51932%0.322SS..EExtended strand (participates in β ladder)trans-109.4139.6172.3-70.5-177.4149.700110.3N227 Y256N227-E258 WeakPolarHBondContact O-CA 3.31Å; Y256-E258 HydrophobicContact CE1-CG 3.5Å; Y256-E258 VanDerWaalsContact OH-CD 3.32Å; Y256-E258 VanDerWaalsContact OH-CG 3.22Å; Y256-E258 WeakPolarHBondContact OH-CG 3.37Å; Y256-E258 PolarHBondContact OH-OE1 3.42Å
259V94.2Very high92.6Very high14 Ų1459.2 Ų59.29%0.08532%0.319CS..EExtended strand (participates in β ladder)trans-132.6138.7178.8-59.70000110.4F154 K157 F161 I226 N227 G228 F229F154-V259 HydrophobicContact CD2-CG2 3.73Å; F154-V259 HydrophobicContact CE2-CG2 3.68Å; K157-V259 HydrophobicContact CB-CB 4.45Å; K157-V259 HydrophobicContact CB-CG2 4.24Å; F161-V259 HydrophobicContact CD2-CG1 4.45Å; F161-V259 HydrophobicContact CE2-CG1 3.45Å; F161-V259 VanDerWaalsContact CE2-CG1 3.45Å; F161-V259 HydrophobicContact CZ-CG1 3.67Å; I226-V259 HydrophobicContact CG2-CB 4.23Å; I226-V259 HydrophobicContact CG2-CG1 3.67Å; I226-V259 HydrophobicContact CG2-CG2 3.52Å; N227-V259 PolarHBondContact O-N 3.37Å; G228-V259 CarbonylContact C-O 3.58Å; G228-V259 WeakPolarHBondContact CA-O 3.42Å; F229-V259 PolarHBondContact N-O 3.25Å
260D92.5Very high92.3Very high103 Ų10359.4 Ų59.455%0.55132%0.32SS*.  trans-84.7125.4167.4-173-1.1000109.2G262D260-G262 PolarHBondContact O-N 2.87Å; D260-G262 PolarHBondContact OD1-N 3.17Å
261S89.8Confident91.8Very high26 Ų2660 Ų6018%0.18232%0.324CS..  trans-74.7-15.7175.769.70000113S263S261-S263 PolarHBondContact O-N 3.01Å; S261-S263 PolarHBondContact OG-N 2.9Å; S261-S263 PolarHBondContact OG-O 2.89Å
262G89.4Confident91.2Very high70 Ų7060.2 Ų60.272%0.72233%0.329SS*.SBendtrans69.210.1-173.200000114D260D260-G262 PolarHBondContact O-N 2.87Å; D260-G262 PolarHBondContact OD1-N 3.17Å
263S88.6Confident90.7Very high29 Ų2959.2 Ų59.220%0.20333%0.325CS..  trans-122.9130.7-179.9166.20000110.7G150 S261 M265G150-S263 VanDerWaalsContact CA-OG 3.29Å; G150-S263 WeakPolarHBondContact CA-OG 3.3Å; S261-S263 PolarHBondContact O-N 3.01Å; S261-S263 PolarHBondContact OG-N 2.9Å; S261-S263 PolarHBondContact OG-O 2.89Å; S263-M265 WeakPolarHBondContact OG-CB 3.16Å; S263-M265 PolarHBondContact OG-N 3.45Å
264D88.6Confident90Very high128 Ų12857.4 Ų57.468%0.68432%0.321SS*.  trans-82.8-12.517363.6-11.7000113.4T266 L269D264-T266 WeakPolarHBondContact O-CG2 3.33Å; D264-T266 PolarHBondContact O-N 2.96Å; D264-L269 VanDerWaalsContact O-CD1 3.28Å; D264-L269 WeakPolarHBondContact O-CD1 3.43Å
265M89Confident89Confident28 Ų2858 Ų5814%0.13831%0.309CS..  trans-55.8128.8-175.3-16460.548.900113.4H148 I149 R230 S263 I270H148-M265 HydrophobicContact CB-CG 4.41Å; H148-M265 PolarHBondContact CE1-O 2.96Å; H148-M265 VanDerWaalsContact CE1-O 3.25Å; I149-M265 HydrophobicContact CG2-CB 4.01Å; I149-M265 HydrophobicContact CG2-CG 4.1Å; R230-M265 PolarHBondContact NH2-O 3.24Å; S263-M265 WeakPolarHBondContact OG-CB 3.16Å; S263-M265 PolarHBondContact OG-N 3.45Å; M265-I270 HydrophobicContact CG-CD1 4.16Å; M265-I270 HydrophobicContact CG-CG1 4.22Å; M265-I270 HydrophobicContact SD-CD1 4.26Å; M265-I270 HydrophobicContact SD-CG1 3.67Å
266T89.3Confident87.9Confident21 Ų2164.8 Ų64.813%0.12934%0.34CS..  trans-130.9161.2176.782.70000110.9D264 D268 L269 I270D264-T266 WeakPolarHBondContact O-CG2 3.33Å; D264-T266 PolarHBondContact O-N 2.96Å; T266-D268 PolarHBondContact O-N 3.3Å; T266-D268 PolarHBondContact OG1-N 3.27Å; T266-L269 HydrophobicContact CG2-CD1 4.02Å; T266-L269 HydrophobicContact CG2-CG 4.3Å; T266-L269 PolarHBondContact O-N 3.1Å; T266-L269 WeakPolarHBondContact OG1-CG 3.34Å; T266-L269 PolarHBondContact OG1-N 3.38Å; T266-I270 WeakPolarHBondContact O-CG1 3.19Å; T266-I270 PolarHBondContact O-N 3.5Å
267T87.5Confident86.8Confident3 Ų368 Ų682%0.01836%0.356CS..Hα-helixtrans-53.1-41.9169.6-44.80000111.2D145 L146 H148 I270 I271D145-T267 HydrophobicContact CB-CG2 4.26Å; D145-T267 PolarHBondContact O-OG1 2.88Å; D145-T267 VanDerWaalsContact O-OG1 3.14Å; L146-T267 HydrophobicContact CB-CG2 4.22Å; L146-T267 HydrophobicContact CD1-CG2 3.81Å; L146-T267 HydrophobicContact CG-CG2 4.14Å; H148-T267 PolarHBondContact NE2-N 3.03Å; T267-I270 WeakPolarHBondContact O-CB 2.96Å; T267-I270 PolarHBondContact O-N 3.29Å; T267-I271 HydrophobicContact CG2-CD1 4.13Å; T267-I271 VanDerWaalsContact O-CG1 3.28Å; T267-I271 WeakPolarHBondContact O-CG1 3.19Å; T267-I271 PolarHBondContact O-N 3.44Å
268D85.9Confident85.6Confident66 Ų6669.4 Ų69.435%0.35336%0.358SS..Hα-helixtrans-68.6-42.5-177.9-50.5-48.5000111.5H183 T266 I270 I271 D272H183-D268 IonicContact CE1-OD1 2.89Å; H183-D268 PolarHBondContact CE1-OD1 2.91Å; H183-D268 IonicContact NE2-OD1 3.87Å; H183-D268 PolarHBondContact NE2-OD1 3.44Å; T266-D268 PolarHBondContact O-N 3.3Å; T266-D268 PolarHBondContact OG1-N 3.27Å; D268-I270 VanDerWaalsContact C-N 3.28Å; D268-I270 PolarHBondContact O-N 3.26Å; D268-I271 WeakPolarHBondContact O-CB 3.4Å; D268-I271 PolarHBondContact O-N 3.3Å; D268-I271 VanDerWaalsContact O-N 3.13Å; D268-D272 PolarHBondContact O-N 3.4Å
269L87.5Confident83.8Confident67 Ų6770.6 Ų70.635%0.35137%0.368SS..Hα-helixtrans-62.7-35.6174.2-71.3177.2000112.1D264 T266 R273D264-L269 VanDerWaalsContact O-CD1 3.28Å; D264-L269 WeakPolarHBondContact O-CD1 3.43Å; T266-L269 HydrophobicContact CG2-CD1 4.02Å; T266-L269 HydrophobicContact CG2-CG 4.3Å; T266-L269 PolarHBondContact O-N 3.1Å; T266-L269 WeakPolarHBondContact OG1-CG 3.34Å; T266-L269 PolarHBondContact OG1-N 3.38Å; L269-R273 WeakPolarHBondContact O-CB 3.28Å; L269-R273 WeakPolarHBondContact O-CG 3.5Å; L269-R273 PolarHBondContact O-N 3.09Å
270I88.4Confident82.5Confident32 Ų3276.1 Ų76.116%0.16439%0.393CS..Hα-helixtrans-65.2-45.4174.2-69.3167.3000110.2L146 H148 M265 T266 T267 D268 R273 I274L146-I270 HydrophobicContact CD1-CG2 4.26Å; H148-I270 HydrophobicContact CB-CD1 3.42Å; H148-I270 VanDerWaalsContact CB-CD1 3.42Å; H148-I270 WeakPolarHBondContact CD2-CD1 3.2Å; M265-I270 HydrophobicContact CG-CD1 4.16Å; M265-I270 HydrophobicContact CG-CG1 4.22Å; M265-I270 HydrophobicContact SD-CD1 4.26Å; M265-I270 HydrophobicContact SD-CG1 3.67Å; T266-I270 WeakPolarHBondContact O-CG1 3.19Å; T266-I270 PolarHBondContact O-N 3.5Å; T267-I270 WeakPolarHBondContact O-CB 2.96Å; T267-I270 PolarHBondContact O-N 3.29Å; D268-I270 VanDerWaalsContact C-N 3.28Å; D268-I270 PolarHBondContact O-N 3.26Å; I270-R273 PolarHBondContact O-N 3.28Å; I270-I274 HydrophobicContact CG2-CD1 3.71Å; I270-I274 WeakPolarHBondContact O-CB 3.47Å; I270-I274 VanDerWaalsContact O-CG1 3.28Å; I270-I274 WeakPolarHBondContact O-CG1 3.47Å; I270-I274 PolarHBondContact O-N 3.34Å
271I84.5Confident81.1Confident13 Ų1373 Ų737%0.06737%0.374CS..Hα-helixtrans-59.9-49.2177.1-69.2165.2000110M75 L146 I185 T267 D268 R273 I274 I275M75-I271 HydrophobicContact CB-CG1 4.46Å; M75-I271 HydrophobicContact CG-CG1 3.95Å; M75-I271 HydrophobicContact SD-CG1 3.88Å; L146-I271 HydrophobicContact CD1-CG1 4.3Å; I185-I271 HydrophobicContact CD1-CD1 4.2Å; I185-I271 HydrophobicContact CG1-CD1 4.1Å; T267-I271 HydrophobicContact CG2-CD1 4.13Å; T267-I271 VanDerWaalsContact O-CG1 3.28Å; T267-I271 WeakPolarHBondContact O-CG1 3.19Å; T267-I271 PolarHBondContact O-N 3.44Å; D268-I271 WeakPolarHBondContact O-CB 3.4Å; D268-I271 PolarHBondContact O-N 3.3Å; D268-I271 VanDerWaalsContact O-N 3.13Å; I271-R273 VanDerWaalsContact C-N 3.35Å; I271-R273 PolarHBondContact O-N 3.14Å; I271-I274 PolarHBondContact O-N 3.5Å; I271-I274 VanDerWaalsContact O-N 3.14Å; I271-I275 HydrophobicContact CG2-CD1 3.54Å; I271-I275 HydrophobicContact CG2-CG1 4.27Å; I271-I275 VanDerWaalsContact O-CG1 3.28Å; I271-I275 WeakPolarHBondContact O-CG1 3.37Å; I271-I275 PolarHBondContact O-N 3.03Å
272D83.9Confident79.8Confident92 Ų9274.6 Ų74.649%0.49238%0.378SS..Hα-helixtrans-60-43.7179.5-73.6-20.7000112.1D268 I274 I275 H276D268-D272 PolarHBondContact O-N 3.4Å; D272-I274 PolarHBondContact O-N 3.4Å; D272-I275 PolarHBondContact O-N 2.95Å; D272-H276 PolarHBondContact O-N 3.15Å
273R85.8Confident78.6Confident157 Ų15774.9 Ų74.959%0.59237%0.366SS*.Hα-helixtrans-61.1-44.4174.9-74.7173.370.6-175.64.3111.3L269 I270 I271 H276 H277L269-R273 WeakPolarHBondContact O-CB 3.28Å; L269-R273 WeakPolarHBondContact O-CG 3.5Å; L269-R273 PolarHBondContact O-N 3.09Å; I270-R273 PolarHBondContact O-N 3.28Å; I271-R273 VanDerWaalsContact C-N 3.35Å; I271-R273 PolarHBondContact O-N 3.14Å; R273-H276 PolarHBondContact O-N 3.25Å; R273-H277 PolarHBondContact O-CD2 3.19Å; R273-H277 VanDerWaalsContact O-CD2 3.26Å; R273-H277 PolarHBondContact O-N 3Å
274I81.8Confident77.6Confident47 Ų4780.3 Ų80.324%0.24138%0.382CS..Hα-helixtrans-66.4-41.1179.4-72.6169.4000111.1V72 M75 I270 I271 D272 H277 R278V72-I274 HydrophobicContact CB-CG2 4.47Å; V72-I274 HydrophobicContact CG1-CG2 4.01Å; V72-I274 HydrophobicContact CG2-CG2 3.93Å; M75-I274 HydrophobicContact CE-CD1 3.79Å; M75-I274 HydrophobicContact SD-CB 4.43Å; M75-I274 HydrophobicContact SD-CD1 3.47Å; M75-I274 WeakPolarHBondContact SD-CD1 3.27Å; M75-I274 HydrophobicContact SD-CG2 4.33Å; I270-I274 HydrophobicContact CG2-CD1 3.71Å; I270-I274 WeakPolarHBondContact O-CB 3.47Å; I270-I274 VanDerWaalsContact O-CG1 3.28Å; I270-I274 WeakPolarHBondContact O-CG1 3.47Å; I270-I274 PolarHBondContact O-N 3.34Å; I271-I274 PolarHBondContact O-N 3.5Å; I271-I274 VanDerWaalsContact O-N 3.14Å; D272-I274 PolarHBondContact O-N 3.4Å; I274-H277 CarbonylContact O-C 3.53Å; I274-H277 PolarHBondContact O-N 3.2Å; I274-R278 PolarHBondContact O-N 3.38Å
275I75.4Confident76.5Confident73 Ų7375.1 Ų75.137%0.37435%0.354SS..Hα-helixtrans-62.9-42.3176.9-69.5168.8000110.7L76 I271 D272 H277 R278L76-I275 HydrophobicContact CD2-CG1 3.85Å; I271-I275 HydrophobicContact CG2-CD1 3.54Å; I271-I275 HydrophobicContact CG2-CG1 4.27Å; I271-I275 VanDerWaalsContact O-CG1 3.28Å; I271-I275 WeakPolarHBondContact O-CG1 3.37Å; I271-I275 PolarHBondContact O-N 3.03Å; D272-I275 PolarHBondContact O-N 2.95Å; I275-H277 VanDerWaalsContact C-N 3.27Å; I275-H277 PolarHBondContact O-N 3.37Å; I275-R278 WeakPolarHBondContact O-CB 3.43Å; I275-R278 PolarHBondContact O-N 3.1Å; I275-R278 VanDerWaalsContact O-N 3.13Å
276H76Confident75.4Confident171 Ų17178.7 Ų78.779%0.79237%0.369SS*.Hα-helixtrans-60.4-37177.7-112.781.8000112.8D272 R273 R278D272-H276 PolarHBondContact O-N 3.15Å; R273-H276 PolarHBondContact O-N 3.25Å; H276-R278 VanDerWaalsContact C-N 3.33Å
277H74.3Confident74.4Confident108 Ų10885 Ų8550%0.540%0.395SS..THydrogen-bonded Turntrans-90.911.1179-72.2-80.9000113.9R273 I274 I275 L279 E280 Y281R273-H277 PolarHBondContact O-CD2 3.19Å; R273-H277 VanDerWaalsContact O-CD2 3.26Å; R273-H277 PolarHBondContact O-N 3Å; I274-H277 CarbonylContact O-C 3.53Å; I274-H277 PolarHBondContact O-N 3.2Å; I275-H277 VanDerWaalsContact C-N 3.27Å; I275-H277 PolarHBondContact O-N 3.37Å; H277-L279 PolarHBondContact O-N 3.22Å; H277-E280 IonicContact CE1-OE2 3.56Å; H277-E280 IonicContact CG-OE2 2.66Å; H277-E280 IonicContact ND1-OE2 2.69Å; H277-E280 PolarHBondContact ND1-OE2 3.39Å; H277-E280 PolarHBondContact O-N 3.11Å; H277-Y281 PolarHBondContact O-N 2.85Å; H277-Y281 VanDerWaalsContact O-N 3.08Å
278R70.1Confident73.4Confident98 Ų9889.8 Ų89.837%0.3742%0.415SS..Hα-helixtrans-54.5-45.3-173.9176.6-176.8174.3174.10113.8L76 I274 I275 H276 E280 Y281 E282L76-R278 HydrophobicContact CD1-CG 4.03Å; L76-R278 HydrophobicContact CD2-CG 4.28Å; I274-R278 PolarHBondContact O-N 3.38Å; I275-R278 WeakPolarHBondContact O-CB 3.43Å; I275-R278 PolarHBondContact O-N 3.1Å; I275-R278 VanDerWaalsContact O-N 3.13Å; H276-R278 VanDerWaalsContact C-N 3.33Å; R278-E280 VanDerWaalsContact C-N 3.32Å; R278-E280 PolarHBondContact O-N 3.49Å; R278-Y281 WeakPolarHBondContact O-CB 3.37Å; R278-Y281 PolarHBondContact O-N 2.9Å; R278-E282 HydrophobicContact CG-CG 4.39Å; R278-E282 IonicContact CZ-OE1 3.41Å; R278-E282 IonicContact NE-OE1 2.78Å; R278-E282 PolarHBondContact NE-OE1 2.91Å; R278-E282 IonicContact NH2-OE1 3.12Å; R278-E282 PolarHBondContact NH2-OE1 3.28Å; R278-E282 VanDerWaalsContact NH2-OE1 3.12Å; R278-E282 WeakPolarHBondContact O-CG 3.41Å; R278-E282 PolarHBondContact O-N 3.42Å
279L57.9Low72.5Confident136 Ų13687.6 Ų87.671%0.71240%0.403SS*.Hα-helixtrans-64-38.1-176.9-75.3165.9000112.3H277 T283H277-L279 PolarHBondContact O-N 3.22Å; L279-T283 WeakPolarHBondContact O-CB 3.26Å; L279-T283 PolarHBondContact O-N 3.1Å; L279-T283 PolarHBondContact O-OG1 3.47Å
280E66.2Low71.6Confident131 Ų13191 Ų9161%0.61241%0.414SS*.Hα-helixtrans-68.9-39.6176.3-62.1176.4162.200110.7H277 R278 T283 R284H277-E280 IonicContact CE1-OE2 3.56Å; H277-E280 IonicContact CG-OE2 2.66Å; H277-E280 IonicContact ND1-OE2 2.69Å; H277-E280 PolarHBondContact ND1-OE2 3.39Å; H277-E280 PolarHBondContact O-N 3.11Å; R278-E280 VanDerWaalsContact C-N 3.32Å; R278-E280 PolarHBondContact O-N 3.49Å; E280-T283 PolarHBondContact O-N 2.96Å; E280-R284 WeakPolarHBondContact O-CB 3.45Å; E280-R284 PolarHBondContact O-N 3.39Å
281Y62.7Low70.5Confident38 Ų3894.1 Ų94.115%0.14943%0.427CS..Hα-helixtrans-62.4-50.7177.1-174.4-92.7000112.5T69 V72 H277 R278 T283 R284 N285T69-Y281 WeakPolarHBondContact CA-OH 3.32Å; T69-Y281 WeakPolarHBondContact CB-OH 3.1Å; T69-Y281 PolarHBondContact N-OH 2.97Å; T69-Y281 PolarHBondContact OG1-OH 3.39Å; V72-Y281 HydrophobicContact CB-CE1 4.16Å; V72-Y281 HydrophobicContact CG1-CD1 3.96Å; V72-Y281 HydrophobicContact CG1-CE1 3.79Å; V72-Y281 HydrophobicContact CG2-CE1 4.42Å; V72-Y281 HydrophobicContact CG2-CE2 4.11Å; H277-Y281 PolarHBondContact O-N 2.85Å; H277-Y281 VanDerWaalsContact O-N 3.08Å; R278-Y281 WeakPolarHBondContact O-CB 3.37Å; R278-Y281 PolarHBondContact O-N 2.9Å; Y281-T283 VanDerWaalsContact C-N 3.27Å; Y281-T283 PolarHBondContact O-N 2.9Å; Y281-R284 PolarHBondContact O-N 3.25Å; Y281-N285 WeakPolarHBondContact CE1-ND2 3.05Å; Y281-N285 VanDerWaalsContact CZ-ND2 3.34Å; Y281-N285 PolarHBondContact O-N 2.87Å; Y281-N285 PolarHBondContact OH-ND2 3.16Å
282E63.3Low69.7Low59 Ų5994.7 Ų94.728%0.27643%0.429SS..Hα-helixtrans-58.6-41.4177.5-73.1179.5-177.400111R278 K286R278-E282 HydrophobicContact CG-CG 4.39Å; R278-E282 IonicContact CZ-OE1 3.41Å; R278-E282 IonicContact NE-OE1 2.78Å; R278-E282 PolarHBondContact NE-OE1 2.91Å; R278-E282 IonicContact NH2-OE1 3.12Å; R278-E282 PolarHBondContact NH2-OE1 3.28Å; R278-E282 VanDerWaalsContact NH2-OE1 3.12Å; R278-E282 WeakPolarHBondContact O-CG 3.41Å; R278-E282 PolarHBondContact O-N 3.42Å; E282-K286 WeakPolarHBondContact O-CG 3.43Å; E282-K286 PolarHBondContact O-N 3.21Å; E282-K286 VanDerWaalsContact O-N 3.14Å
283T64.8Low68.8Low75 Ų7591.7 Ų91.746%0.4642%0.417SS..Hα-helixtrans-65.5-40.2178.6-57.30000112.4L279 E280 Y281 K287L279-T283 WeakPolarHBondContact O-CB 3.26Å; L279-T283 PolarHBondContact O-N 3.1Å; L279-T283 PolarHBondContact O-OG1 3.47Å; E280-T283 PolarHBondContact O-N 2.96Å; Y281-T283 VanDerWaalsContact C-N 3.27Å; Y281-T283 PolarHBondContact O-N 2.9Å; T283-K287 PolarHBondContact O-N 3.18Å
284R67.3Low68Low143 Ų14388.3 Ų88.354%0.5441%0.411SS..Hα-helixtrans-68.5-43.1178.2-175.8-175.663120.37.4112E280 Y281 K287 K288E280-R284 WeakPolarHBondContact O-CB 3.45Å; E280-R284 PolarHBondContact O-N 3.39Å; Y281-R284 PolarHBondContact O-N 3.25Å; R284-K287 PolarHBondContact O-N 2.88Å; R284-K288 PolarHBondContact O-N 3.09Å; R284-K288 VanDerWaalsContact O-N 3.15Å
285N64.2Low67.2Low20 Ų2087.1 Ų87.111%0.10741%0.406CS..Hα-helixtrans-64.6-41.3179.8-85.714.3000112T69 Y281 K287 K288 E289T69-N285 PolarHBondContact OG1-ND2 3.35Å; Y281-N285 WeakPolarHBondContact CE1-ND2 3.05Å; Y281-N285 VanDerWaalsContact CZ-ND2 3.34Å; Y281-N285 PolarHBondContact O-N 2.87Å; Y281-N285 PolarHBondContact OH-ND2 3.16Å; N285-K287 PolarHBondContact O-N 3.41Å; N285-K288 PolarHBondContact O-N 2.81Å; N285-E289 PolarHBondContact O-N 2.89Å
286K66Low66.6Low102 Ų10284.4 Ų84.444%0.44339%0.394SS..Hα-helixtrans-52.6-41.4172.3-78.5172.2178.5176.60112.8T101 E282 K290T101-K286 HydrophobicContact CG2-CD 4.44Å; T101-K286 HydrophobicContact CG2-CG 4.39Å; T101-K286 WeakPolarHBondContact OG1-CG 3.42Å; E282-K286 WeakPolarHBondContact O-CG 3.43Å; E282-K286 PolarHBondContact O-N 3.21Å; E282-K286 VanDerWaalsContact O-N 3.14Å; K286-K290 WeakPolarHBondContact O-CB 3.41Å; K286-K290 PolarHBondContact O-N 2.78Å
287K68.1Low66.1Low155 Ų15583.2 Ų83.267%0.67439%0.387SS*.Hα-helixtrans-68.6-39.3177.7-69.1179.1-179.31800112.2T283 R284 N285 K291T283-K287 PolarHBondContact O-N 3.18Å; R284-K287 PolarHBondContact O-N 2.88Å; N285-K287 PolarHBondContact O-N 3.41Å; K287-K291 PolarHBondContact O-N 3.48Å
288K67.1Low65.5Low102 Ų10282.2 Ų82.244%0.44340%0.397SS..Hα-helixtrans-68.9-49.4179.9-176.4173.8170.2172.20111.6R284 N285 K290 K291 E292R284-K288 PolarHBondContact O-N 3.09Å; R284-K288 VanDerWaalsContact O-N 3.15Å; N285-K288 PolarHBondContact O-N 2.81Å; K288-K290 VanDerWaalsContact C-N 3.34Å; K288-K290 PolarHBondContact O-N 2.63Å; K288-K291 WeakPolarHBondContact O-CB 3.48Å; K288-K291 PolarHBondContact O-N 3.05Å; K288-K291 VanDerWaalsContact O-N 3.16Å; K288-E292 WeakPolarHBondContact CE-OE1 3.46Å; K288-E292 IonicContact NZ-OE1 3.86Å; K288-E292 WeakPolarHBondContact O-CG 3.34Å; K288-E292 PolarHBondContact O-N 3.03Å
289E67.4Low64.9Low21 Ų2183.1 Ų83.110%0.09841%0.407CS..Hα-helixtrans-59.6-43.6178.5-73.8177.5164.600111.7S100 T110 N285 K291 E292 A293S100-E289 PolarHBondContact OG-OE1 3.49Å; T110-E289 HydrophobicContact CG2-CG 4.09Å; N285-E289 PolarHBondContact O-N 2.89Å; E289-K291 VanDerWaalsContact C-N 3.32Å; E289-K291 PolarHBondContact O-N 3.28Å; E289-E292 PolarHBondContact O-N 2.89Å; E289-A293 WeakPolarHBondContact O-CB 3.33Å; E289-A293 PolarHBondContact O-N 3.01Å
290K67.8Low64.7Low137 Ų13783.9 Ų83.960%0.59641%0.412SS*.Hα-helixtrans-58.1-45175.9-174.1176.7179.9-179.30111.8K286 K288 A293 D294K286-K290 WeakPolarHBondContact O-CB 3.41Å; K286-K290 PolarHBondContact O-N 2.78Å; K288-K290 VanDerWaalsContact C-N 3.34Å; K288-K290 PolarHBondContact O-N 2.63Å; K290-A293 PolarHBondContact O-N 3.22Å; K290-D294 WeakPolarHBondContact O-CB 3.39Å; K290-D294 PolarHBondContact O-N 3.42Å
291K66.8Low63.9Low98 Ų9883.9 Ų83.943%0.42642%0.415SS..Hα-helixtrans-64-42.6178.3-171.1178.8179.4-178.30111.9L40 K287 K288 E289 D294 V295L40-K291 WeakPolarHBondContact O-CE 3.48Å; L40-K291 PolarHBondContact O-NZ 2.65Å; K287-K291 PolarHBondContact O-N 3.48Å; K288-K291 WeakPolarHBondContact O-CB 3.48Å; K288-K291 PolarHBondContact O-N 3.05Å; K288-K291 VanDerWaalsContact O-N 3.16Å; E289-K291 VanDerWaalsContact C-N 3.32Å; E289-K291 PolarHBondContact O-N 3.28Å; K291-D294 PolarHBondContact O-N 3.28Å; K291-V295 VanDerWaalsContact O-CG2 3.27Å; K291-V295 WeakPolarHBondContact O-CG2 3.46Å; K291-V295 PolarHBondContact O-N 3.46Å; K291-V295 VanDerWaalsContact O-N 3.1Å
292E66.6Low62.8Low26 Ų2689.5 Ų89.512%0.12145%0.447CS..Hα-helixtrans-63.5-43.3176.5-72.2175.2-173.500111.8S107 K288 E289 V295 A296S107-E292 PolarHBondContact OG-OE2 3.41Å; K288-E292 WeakPolarHBondContact CE-OE1 3.46Å; K288-E292 IonicContact NZ-OE1 3.86Å; K288-E292 WeakPolarHBondContact O-CG 3.34Å; K288-E292 PolarHBondContact O-N 3.03Å; E289-E292 PolarHBondContact O-N 2.89Å; E292-V295 PolarHBondContact O-N 3.23Å; E292-A296 WeakPolarHBondContact O-CB 3.45Å; E292-A296 PolarHBondContact O-N 2.82Å
293A65.9Low62.8Low29 Ų2991.1 Ų91.124%0.2446%0.455CS..Hα-helixtrans-65.7-40.217800000112.6E289 K290 V295 A296 K297E289-A293 WeakPolarHBondContact O-CB 3.33Å; E289-A293 PolarHBondContact O-N 3.01Å; K290-A293 PolarHBondContact O-N 3.22Å; A293-V295 VanDerWaalsContact C-N 3.34Å; A293-A296 PolarHBondContact O-N 3.14Å; A293-K297 WeakPolarHBondContact O-CG 3.08Å; A293-K297 PolarHBondContact O-N 3.21Å; A293-K297 VanDerWaalsContact O-N 3.1Å
294D69.1Low62.7Low85 Ų8591.9 Ų91.946%0.45546%0.455SS..Hα-helixtrans-64.5-39.6177.1-69.9-21.4000111.1K290 K291 A298K290-D294 WeakPolarHBondContact O-CB 3.39Å; K290-D294 PolarHBondContact O-N 3.42Å; K291-D294 PolarHBondContact O-N 3.28Å; D294-A298 WeakPolarHBondContact O-CB 3.34Å; D294-A298 PolarHBondContact O-N 3.08Å; D294-A298 VanDerWaalsContact O-N 3.11Å
295V65Low62.4Low22 Ų2289.1 Ų89.113%0.13345%0.45CS..Hα-helixtrans-71.4-42.2176.4175.70000111.9I38 L40 K291 E292 A293 K297 A298 M299I38-V295 HydrophobicContact CD1-CG1 4.05Å; I38-V295 HydrophobicContact CG2-CG1 4.02Å; L40-V295 HydrophobicContact CD1-CG1 3.86Å; L40-V295 HydrophobicContact CD1-CG2 3.93Å; K291-V295 VanDerWaalsContact O-CG2 3.27Å; K291-V295 WeakPolarHBondContact O-CG2 3.46Å; K291-V295 PolarHBondContact O-N 3.46Å; K291-V295 VanDerWaalsContact O-N 3.1Å; E292-V295 PolarHBondContact O-N 3.23Å; A293-V295 VanDerWaalsContact C-N 3.34Å; V295-K297 VanDerWaalsContact C-N 3.28Å; V295-K297 PolarHBondContact O-N 2.78Å; V295-A298 PolarHBondContact O-N 3.18Å; V295-A298 VanDerWaalsContact O-N 3.08Å; V295-M299 HydrophobicContact CG1-CG 4.19Å; V295-M299 HydrophobicContact CG1-SD 3.7Å; V295-M299 WeakPolarHBondContact O-CG 3.42Å; V295-M299 PolarHBondContact O-N 3.13Å
296A62.2Low62.3Low16 Ų1693.1 Ų93.113%0.13247%0.47CS..Hα-helixtrans-60.5-38.9178.100000112.1E292 A293 M299 N300 L301 I302E292-A296 WeakPolarHBondContact O-CB 3.45Å; E292-A296 PolarHBondContact O-N 2.82Å; A293-A296 PolarHBondContact O-N 3.14Å; A296-M299 PolarHBondContact O-N 3.12Å; A296-N300 PolarHBondContact O-N 3.16Å; A296-L301 PolarHBondContact O-N 2.93Å; A296-I302 HydrophobicContact CB-CD1 3.73Å; A296-I302 HydrophobicContact CB-CG1 4.18Å
297K65.4Low62.1Low146 Ų14692.6 Ų92.664%0.63547%0.472SS*.Hα-helixtrans-65.7-40.5172-74.8174.8-178.4172.50112.5A293 V295 M299 N300A293-K297 WeakPolarHBondContact O-CG 3.08Å; A293-K297 PolarHBondContact O-N 3.21Å; A293-K297 VanDerWaalsContact O-N 3.1Å; V295-K297 VanDerWaalsContact C-N 3.28Å; V295-K297 PolarHBondContact O-N 2.78Å; K297-M299 VanDerWaalsContact C-N 3.27Å; K297-M299 PolarHBondContact O-N 2.78Å; K297-N300 PolarHBondContact O-N 2.95Å
298A62.3Low61.7Low87 Ų8788.4 Ų88.472%0.71946%0.459SS*.Hα-helixtrans-68.1-26.6177.600000113.2D294 V295D294-A298 WeakPolarHBondContact O-CB 3.34Å; D294-A298 PolarHBondContact O-N 3.08Å; D294-A298 VanDerWaalsContact O-N 3.11Å; V295-A298 PolarHBondContact O-N 3.18Å; V295-A298 VanDerWaalsContact O-N 3.08Å
299M56.5Low61.3Low118 Ų11887.4 Ų87.458%0.58146%0.46SS*.THydrogen-bonded Turntrans-95.96.5-179.1-65-176.980.100114.3V295 A296 K297 L301V295-M299 HydrophobicContact CG1-CG 4.19Å; V295-M299 HydrophobicContact CG1-SD 3.7Å; V295-M299 WeakPolarHBondContact O-CG 3.42Å; V295-M299 PolarHBondContact O-N 3.13Å; A296-M299 PolarHBondContact O-N 3.12Å; K297-M299 VanDerWaalsContact C-N 3.27Å; K297-M299 PolarHBondContact O-N 2.78Å; M299-L301 HydrophobicContact CB-CD1 3.97Å; M299-L301 HydrophobicContact CB-CG 4.38Å; M299-L301 PolarHBondContact O-N 3.16Å
300N53.8Low60.9Low151 Ų15192.5 Ų92.581%0.80749%0.487SS*.THydrogen-bonded Turntrans54.430.8-179-100.515.8000114.2A296 K297 I302A296-N300 PolarHBondContact O-N 3.16Å; K297-N300 PolarHBondContact O-N 2.95Å; N300-I302 VanDerWaalsContact C-N 3.33Å
301L49.3Very low60.3Low131 Ų13188.8 Ų88.869%0.68648%0.478SS*.  trans-87.8-2.6178.1-79.6160.8000113A296 M299A296-L301 PolarHBondContact O-N 2.93Å; M299-L301 HydrophobicContact CB-CD1 3.97Å; M299-L301 HydrophobicContact CB-CG 4.38Å; M299-L301 PolarHBondContact O-N 3.16Å
302I40.5Very low59.7Low157 Ų15788 Ų8881%0.80548%0.483SS*.  trans-142.40177.4-45.3177.4000108.9A296 N300A296-I302 HydrophobicContact CB-CD1 3.73Å; A296-I302 HydrophobicContact CB-CG1 4.18Å; N300-I302 VanDerWaalsContact C-N 3.33Å

Retrieved 302 of 302 residues in 132.1 ms (Link to these results)

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